N-methyl-1-(1-methylpyrazol-4-yl)-N-[(1-piperidin-4-yltriazol-4-yl)methyl]methanamine

C14H23N7 — CID 30876971

IUPACN-methyl-1-(1-methylpyrazol-4-yl)-N-[(1-piperidin-4-yltriazol-4-yl)methyl]methanamine
SMILESCN(Cc1cnn(C)c1)Cc1cn(C2CCNCC2)nn1
InChIInChI=1S/C14H23N7/c1-19(8-12-7-16-20(2)9-12)10-13-11-21(18-17-13)14-3-5-15-6-4-14/h7,9,11,14-15H,3-6,8,10H2,1-2H3
InChIKeyAAENCDCZTCGMCF-UHFFFAOYSA-N
MW289.39 g/mol
LogP0.57
Rot. Bonds5

About N-methyl-1-(1-methylpyrazol-4-yl)-N-[(1-piperidin-4-yltriazol-4-yl)methyl]methanamine

N-methyl-1-(1-methylpyrazol-4-yl)-N-[(1-piperidin-4-yltriazol-4-yl)methyl]methanamine (PubChem CID 30876971) has the molecular formula C14H23N7 and a molecular weight of 289.39 g/mol. Its IUPAC name is N-methyl-1-(1-methylpyrazol-4-yl)-N-[(1-piperidin-4-yltriazol-4-yl)methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(1-methylpyrazol-4-yl)-N-[(1-piperidin-4-yltriazol-4-yl)methyl]methanamine
PubChem CID30876971
Molecular FormulaC14H23N7
Molecular Weight289.39 g/mol
Exact Mass289.20
IUPAC NameN-methyl-1-(1-methylpyrazol-4-yl)-N-[(1-piperidin-4-yltriazol-4-yl)methyl]methanamine
SMILESCN(Cc1cnn(C)c1)Cc1cn(C2CCNCC2)nn1
InChIInChI=1S/C14H23N7/c1-19(8-12-7-16-20(2)9-12)10-13-11-21(18-17-13)14-3-5-15-6-4-14/h7,9,11,14-15H,3-6,8,10H2,1-2H3
InChIKeyAAENCDCZTCGMCF-UHFFFAOYSA-N
XLogP0.57
TPSA63.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 22196060
3-(1-methylpyrazol-4-yl)-1-(1-piperidin-4-yltriazol-4-yl)propan-1-one
CID 103023689
(1-piperidin-4-yltriazol-4-yl)methanol;hydrochloride
CID 86262656
[4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenyl]methanamine
CID 61438389
N-[(1-methylpyrazol-4-yl)methyl]-N-propylpiperidin-4-amine
CID 60806152
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 80522098
N-methyl-1-(4-methylpiperidin-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 114421337
N-methyl-1-(1-methylpyrazol-4-yl)-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine
CID 63142986
2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-amine
CID 62617070
N,N-dimethyl-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]aniline
CID 75402177
4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butanoic acid
CID 61442435
N-[2-[benzyl(methyl)amino]ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119862234

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-methylpyrazol-4-yl)-N-[(1-piperidin-4-yltriazol-4-yl)methyl]methanamine?
The IUPAC name of N-methyl-1-(1-methylpyrazol-4-yl)-N-[(1-piperidin-4-yltriazol-4-yl)methyl]methanamine (CID 30876971) is N-methyl-1-(1-methylpyrazol-4-yl)-N-[(1-piperidin-4-yltriazol-4-yl)methyl]methanamine.
What is the SMILES notation for N-methyl-1-(1-methylpyrazol-4-yl)-N-[(1-piperidin-4-yltriazol-4-yl)methyl]methanamine?
The canonical SMILES for N-methyl-1-(1-methylpyrazol-4-yl)-N-[(1-piperidin-4-yltriazol-4-yl)methyl]methanamine is CN(Cc1cnn(C)c1)Cc1cn(C2CCNCC2)nn1.
What is the InChIKey of N-methyl-1-(1-methylpyrazol-4-yl)-N-[(1-piperidin-4-yltriazol-4-yl)methyl]methanamine?
The InChIKey is AAENCDCZTCGMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N7/c1-19(8-12-7-16-20(2)9-12)10-13-11-21(18-17-13)14-3-5-15-6-4-14/h7,9,11,14-15H,3-6,8,10H2,1-2H3.
What are the key properties of N-methyl-1-(1-methylpyrazol-4-yl)-N-[(1-piperidin-4-yltriazol-4-yl)methyl]methanamine?
N-methyl-1-(1-methylpyrazol-4-yl)-N-[(1-piperidin-4-yltriazol-4-yl)methyl]methanamine has a molecular weight of 289.39 g/mol, XLogP of 0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-methylpyrazol-4-yl)-N-[(1-piperidin-4-yltriazol-4-yl)methyl]methanamine is sourced from PubChem (CID 30876971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).