1-[4-cyclopropyl-5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine

C18H29N7 — CID 70772189

IUPAC1-[4-cyclopropyl-5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine
SMILESCc1[nH]cnc1CN1CCC(c2nnc(CN(C)C)n2C2CC2)CC1
InChIInChI=1S/C18H29N7/c1-13-16(20-12-19-13)10-24-8-6-14(7-9-24)18-22-21-17(11-23(2)3)25(18)15-4-5-15/h12,14-15H,4-11H2,1-3H3,(H,19,20)
InChIKeyJBVZXNSKZGSYNN-UHFFFAOYSA-N
MW343.48 g/mol
LogP2.09
Rot. Bonds6

About 1-[4-cyclopropyl-5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine

1-[4-cyclopropyl-5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine (PubChem CID 70772189) has the molecular formula C18H29N7 and a molecular weight of 343.48 g/mol. Its IUPAC name is 1-[4-cyclopropyl-5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[4-cyclopropyl-5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine
PubChem CID70772189
Molecular FormulaC18H29N7
Molecular Weight343.48 g/mol
Exact Mass343.25
IUPAC Name1-[4-cyclopropyl-5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine
SMILESCc1[nH]cnc1CN1CCC(c2nnc(CN(C)C)n2C2CC2)CC1
InChIInChI=1S/C18H29N7/c1-13-16(20-12-19-13)10-24-8-6-14(7-9-24)18-22-21-17(11-23(2)3)25(18)15-4-5-15/h12,14-15H,4-11H2,1-3H3,(H,19,20)
InChIKeyJBVZXNSKZGSYNN-UHFFFAOYSA-N
XLogP2.09
TPSA65.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-cyclopropyl-5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine with MolForge

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Related Compounds

1-[(4-methyl-5-{1-[(4-methyl-1H-imidazol-5-yl)methyl]piperidin-3-yl}-4H-1,2,4-triazol-3-yl)methyl]piperidin-4-ol
CID 70717218
1-[(4-methyl-1H-imidazol-5-yl)methyl]-4-[4-methyl-5-(piperidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidine
CID 70721798
4-{4-ethyl-5-[(2-methyl-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}-1-(1H-imidazol-4-ylmethyl)piperidine
CID 72890372
1-[(2-butyl-1H-imidazol-4-yl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)piperidine
CID 129623994
9-Pentyl-3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]purine
CID 141192267
7-(2,2-Difluorocyclopropyl)-3-methyl-9-pentyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]purine
CID 141192317
1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
CID 128109075
1-methyl-4-[[5-(5-methyl-1H-imidazol-4-yl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methyl]piperidine
CID 136276433
1-[(2-ethyl-4-methyl-1H-imidazol-5-yl)methyl]-4-[2-(1H-1,2,4-triazol-1-yl)ethyl]piperazine
CID 50969252
N-methyl-1-(4-methyl-1H-imidazol-5-yl)-N-[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]methanamine
CID 50978613
3-{1-[(2-ethyl-4-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl}-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 50984135
1-methyl-4-[(4-methyl-5-{1-[(4-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl}-4H-1,2,4-triazol-3-yl)methyl]piperazine
CID 72874253

Frequently Asked Questions

What is the IUPAC name of 1-[4-cyclopropyl-5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[4-cyclopropyl-5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine (CID 70772189) is 1-[4-cyclopropyl-5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[4-cyclopropyl-5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[4-cyclopropyl-5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine is Cc1[nH]cnc1CN1CCC(c2nnc(CN(C)C)n2C2CC2)CC1.
What is the InChIKey of 1-[4-cyclopropyl-5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine?
The InChIKey is JBVZXNSKZGSYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N7/c1-13-16(20-12-19-13)10-24-8-6-14(7-9-24)18-22-21-17(11-23(2)3)25(18)15-4-5-15/h12,14-15H,4-11H2,1-3H3,(H,19,20).
What are the key properties of 1-[4-cyclopropyl-5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine?
1-[4-cyclopropyl-5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine has a molecular weight of 343.48 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-cyclopropyl-5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 70772189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).