3-[4-methyl-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine

C16H25N7 — CID 91773371

IUPAC3-[4-methyl-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
SMILESCn1c(CN2CCC(c3ccn[nH]3)CC2)nnc1C1CC(N)C1
InChIInChI=1S/C16H25N7/c1-22-15(20-21-16(22)12-8-13(17)9-12)10-23-6-3-11(4-7-23)14-2-5-18-19-14/h2,5,11-13H,3-4,6-10,17H2,1H3,(H,18,19)
InChIKeyJHCWETUVGHPGKM-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.12
Rot. Bonds4

About 3-[4-methyl-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine

3-[4-methyl-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine (PubChem CID 91773371) has the molecular formula C16H25N7 and a molecular weight of 315.42 g/mol. Its IUPAC name is 3-[4-methyl-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[4-methyl-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
PubChem CID91773371
Molecular FormulaC16H25N7
Molecular Weight315.42 g/mol
Exact Mass315.22
IUPAC Name3-[4-methyl-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
SMILESCn1c(CN2CCC(c3ccn[nH]3)CC2)nnc1C1CC(N)C1
InChIInChI=1S/C16H25N7/c1-22-15(20-21-16(22)12-8-13(17)9-12)10-23-6-3-11(4-7-23)14-2-5-18-19-14/h2,5,11-13H,3-4,6-10,17H2,1H3,(H,18,19)
InChIKeyJHCWETUVGHPGKM-UHFFFAOYSA-N
XLogP1.12
TPSA88.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-methyl-5-[(4-propylpiperidin-1-yl)methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
CID 91782942
3-[5-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutan-1-amine
CID 91764234
3-[4-methyl-5-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
CID 91798054
3-[4-methyl-5-[(3-phenyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
CID 91769754
1-[[5-(3-aminocyclobutyl)-4-methyl-1,2,4-triazol-3-yl]methyl]-4-pyridin-3-ylpiperidin-4-ol
CID 91761605
1-[[4-methyl-5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]azepane
CID 72884249
1-[(1-methylpyrazol-4-yl)methyl]-4-(1H-pyrazol-5-yl)piperidine
CID 95817555
1-[(2-methylphenyl)methyl]-4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine
CID 72928742
2-amino-4-[4-[[5-(3-aminocyclobutyl)-4-methyl-1,2,4-triazol-3-yl]methyl]piperazin-1-yl]-1H-pyrimidin-6-one
CID 136662222
1-[[4-methyl-5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
CID 70740331
[3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 70763208
1-[[5-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]azepane
CID 72887253

Frequently Asked Questions

What is the IUPAC name of 3-[4-methyl-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine?
The IUPAC name of 3-[4-methyl-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine (CID 91773371) is 3-[4-methyl-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine.
What is the SMILES notation for 3-[4-methyl-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine?
The canonical SMILES for 3-[4-methyl-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine is Cn1c(CN2CCC(c3ccn[nH]3)CC2)nnc1C1CC(N)C1.
What is the InChIKey of 3-[4-methyl-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine?
The InChIKey is JHCWETUVGHPGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N7/c1-22-15(20-21-16(22)12-8-13(17)9-12)10-23-6-3-11(4-7-23)14-2-5-18-19-14/h2,5,11-13H,3-4,6-10,17H2,1H3,(H,18,19).
What are the key properties of 3-[4-methyl-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine?
3-[4-methyl-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine has a molecular weight of 315.42 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-methyl-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine is sourced from PubChem (CID 91773371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).