1-(aminomethyl)-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]cyclopropane-1-carboxamide

C14H17N5O — CID 115452405

IUPAC1-(aminomethyl)-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]cyclopropane-1-carboxamide
SMILESCn1cnnc1-c1ccc(NC(=O)C2(CN)CC2)cc1
InChIInChI=1S/C14H17N5O/c1-19-9-16-18-12(19)10-2-4-11(5-3-10)17-13(20)14(8-15)6-7-14/h2-5,9H,6-8,15H2,1H3,(H,17,20)
InChIKeyXDEXNRSQHWMSOS-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.16
Rot. Bonds4

About 1-(aminomethyl)-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]cyclopropane-1-carboxamide

1-(aminomethyl)-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]cyclopropane-1-carboxamide (PubChem CID 115452405) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]cyclopropane-1-carboxamide
PubChem CID115452405
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name1-(aminomethyl)-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]cyclopropane-1-carboxamide
SMILESCn1cnnc1-c1ccc(NC(=O)C2(CN)CC2)cc1
InChIInChI=1S/C14H17N5O/c1-19-9-16-18-12(19)10-2-4-11(5-3-10)17-13(20)14(8-15)6-7-14/h2-5,9H,6-8,15H2,1H3,(H,17,20)
InChIKeyXDEXNRSQHWMSOS-UHFFFAOYSA-N
XLogP1.16
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]oxane-4-carboxamide
CID 120925376
2-amino-N-[2-[4-(4-methyl-1,2,4-triazol-3-yl)anilino]-2-oxoethyl]acetamide
CID 60848681
2,2,2-trifluoroethyl N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]carbamate
CID 62494813
(2R)-2-amino-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide
CID 107568474
(2R)-2-amino-3,3-dimethyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide
CID 103928696
N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-(prop-2-ynylamino)acetamide
CID 79286471
4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-N-ethylbenzamide
CID 115452592
1-(aminomethyl)-N-[4-(2-methylpropyl)phenyl]cyclopropane-1-carboxamide
CID 115182510
N-[1-(1-methylcyclopropyl)ethyl]-4-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 43686643
4-(methoxymethyl)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]piperidine-4-carboxamide
CID 120623365
3-(ethylamino)-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide
CID 62839702
1-(aminomethyl)-N-[4-(carbamoylamino)phenyl]cyclohexane-1-carboxamide
CID 115437417

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]cyclopropane-1-carboxamide (CID 115452405) is 1-(aminomethyl)-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]cyclopropane-1-carboxamide is Cn1cnnc1-c1ccc(NC(=O)C2(CN)CC2)cc1.
What is the InChIKey of 1-(aminomethyl)-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is XDEXNRSQHWMSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-19-9-16-18-12(19)10-2-4-11(5-3-10)17-13(20)14(8-15)6-7-14/h2-5,9H,6-8,15H2,1H3,(H,17,20).
What are the key properties of 1-(aminomethyl)-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]cyclopropane-1-carboxamide?
1-(aminomethyl)-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 115452405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).