N-cyclopropyl-4-[(1-methyltriazol-4-yl)methylamino]benzamide

C14H17N5O — CID 62757581

IUPACN-cyclopropyl-4-[(1-methyltriazol-4-yl)methylamino]benzamide
SMILESCn1cc(CNc2ccc(C(=O)NC3CC3)cc2)nn1
InChIInChI=1S/C14H17N5O/c1-19-9-13(17-18-19)8-15-11-4-2-10(3-5-11)14(20)16-12-6-7-12/h2-5,9,12,15H,6-8H2,1H3,(H,16,20)
InChIKeySSEXOMBFMNJNJV-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.32
Rot. Bonds5

About N-cyclopropyl-4-[(1-methyltriazol-4-yl)methylamino]benzamide

N-cyclopropyl-4-[(1-methyltriazol-4-yl)methylamino]benzamide (PubChem CID 62757581) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is N-cyclopropyl-4-[(1-methyltriazol-4-yl)methylamino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[(1-methyltriazol-4-yl)methylamino]benzamide
PubChem CID62757581
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC NameN-cyclopropyl-4-[(1-methyltriazol-4-yl)methylamino]benzamide
SMILESCn1cc(CNc2ccc(C(=O)NC3CC3)cc2)nn1
InChIInChI=1S/C14H17N5O/c1-19-9-13(17-18-19)8-15-11-4-2-10(3-5-11)14(20)16-12-6-7-12/h2-5,9,12,15H,6-8H2,1H3,(H,16,20)
InChIKeySSEXOMBFMNJNJV-UHFFFAOYSA-N
XLogP1.32
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-4-[(1-methyltriazol-4-yl)methylamino]benzamide
CID 62757413
2-[4-[(1-methyltriazol-4-yl)methylamino]phenyl]acetamide
CID 55113606
4-[(6-bromo-2-pyridinyl)methylamino]-N-cyclopropylbenzamide
CID 115937911
N-methyl-3-[(1-methyltriazol-4-yl)methylamino]benzamide
CID 62757928
N-cyclopropyl-4-(pentylamino)benzamide
CID 43687480
N-cyclopropyl-4-(methylamino)benzamide
CID 62170956
N-ethyl-4-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]benzamide
CID 66270751
N-(oxan-4-yl)-4-(1,2-oxazol-3-ylmethylamino)benzamide
CID 71973649
4-N,4-N-diethyl-1-N-[(1-methyltriazol-4-yl)methyl]benzene-1,4-diamine
CID 62756674
N-cyclopropyl-4-(thiophen-3-ylmethylamino)benzamide
CID 43687516
N-ethyl-4-methyl-3-[(1-methyltriazol-4-yl)methylamino]benzamide
CID 62757049
N-cyclobutyl-4-(propylamino)benzamide
CID 55067083

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(1-methyltriazol-4-yl)methylamino]benzamide?
The IUPAC name of N-cyclopropyl-4-[(1-methyltriazol-4-yl)methylamino]benzamide (CID 62757581) is N-cyclopropyl-4-[(1-methyltriazol-4-yl)methylamino]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[(1-methyltriazol-4-yl)methylamino]benzamide?
The canonical SMILES for N-cyclopropyl-4-[(1-methyltriazol-4-yl)methylamino]benzamide is Cn1cc(CNc2ccc(C(=O)NC3CC3)cc2)nn1.
What is the InChIKey of N-cyclopropyl-4-[(1-methyltriazol-4-yl)methylamino]benzamide?
The InChIKey is SSEXOMBFMNJNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-19-9-13(17-18-19)8-15-11-4-2-10(3-5-11)14(20)16-12-6-7-12/h2-5,9,12,15H,6-8H2,1H3,(H,16,20).
What are the key properties of N-cyclopropyl-4-[(1-methyltriazol-4-yl)methylamino]benzamide?
N-cyclopropyl-4-[(1-methyltriazol-4-yl)methylamino]benzamide has a molecular weight of 271.32 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[(1-methyltriazol-4-yl)methylamino]benzamide is sourced from PubChem (CID 62757581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).