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

C16H27N7 — CID 70759762

IUPACN,N-dimethyl-1-[4-methyl-5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methanamine
SMILESCc1[nH]cnc1CN1CCCC(c2nnc(CN(C)C)n2C)C1
InChIInChI=1S/C16H27N7/c1-12-14(18-11-17-12)9-23-7-5-6-13(8-23)16-20-19-15(22(16)4)10-21(2)3/h11,13H,5-10H2,1-4H3,(H,17,18)
InChIKeyHYUSLNKGCLNGGP-UHFFFAOYSA-N
MW317.44 g/mol
LogP1.29
Rot. Bonds5

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

N,N-dimethyl-1-[4-methyl-5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methanamine (PubChem CID 70759762) has the molecular formula C16H27N7 and a molecular weight of 317.44 g/mol. Its IUPAC name is N,N-dimethyl-1-[4-methyl-5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[4-methyl-5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methanamine
PubChem CID70759762
Molecular FormulaC16H27N7
Molecular Weight317.44 g/mol
Exact Mass317.23
IUPAC NameN,N-dimethyl-1-[4-methyl-5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methanamine
SMILESCc1[nH]cnc1CN1CCCC(c2nnc(CN(C)C)n2C)C1
InChIInChI=1S/C16H27N7/c1-12-14(18-11-17-12)9-23-7-5-6-13(8-23)16-20-19-15(22(16)4)10-21(2)3/h11,13H,5-10H2,1-4H3,(H,17,18)
InChIKeyHYUSLNKGCLNGGP-UHFFFAOYSA-N
XLogP1.29
TPSA65.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[4-methyl-5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[4-methyl-5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methanamine (CID 70759762) is N,N-dimethyl-1-[4-methyl-5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[4-methyl-5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[4-methyl-5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methanamine is Cc1[nH]cnc1CN1CCCC(c2nnc(CN(C)C)n2C)C1.
What is the InChIKey of N,N-dimethyl-1-[4-methyl-5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methanamine?
The InChIKey is HYUSLNKGCLNGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N7/c1-12-14(18-11-17-12)9-23-7-5-6-13(8-23)16-20-19-15(22(16)4)10-21(2)3/h11,13H,5-10H2,1-4H3,(H,17,18).
What are the key properties of N,N-dimethyl-1-[4-methyl-5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methanamine?
N,N-dimethyl-1-[4-methyl-5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methanamine has a molecular weight of 317.44 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[4-methyl-5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 70759762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).