2-methyl-N-[3-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amino]-3-oxopropyl]cyclopropane-1-carboxamide

C13H21N5O2 — CID 64512398

IUPAC2-methyl-N-[3-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amino]-3-oxopropyl]cyclopropane-1-carboxamide
SMILESCc1nc(CN(C)C(=O)CCNC(=O)C2CC2C)n[nH]1
InChIInChI=1S/C13H21N5O2/c1-8-6-10(8)13(20)14-5-4-12(19)18(3)7-11-15-9(2)16-17-11/h8,10H,4-7H2,1-3H3,(H,14,20)(H,15,16,17)
InChIKeyWYNWKOLUGBSWGU-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.23
Rot. Bonds6

About 2-methyl-N-[3-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amino]-3-oxopropyl]cyclopropane-1-carboxamide

2-methyl-N-[3-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amino]-3-oxopropyl]cyclopropane-1-carboxamide (PubChem CID 64512398) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-methyl-N-[3-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amino]-3-oxopropyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[3-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amino]-3-oxopropyl]cyclopropane-1-carboxamide
PubChem CID64512398
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name2-methyl-N-[3-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amino]-3-oxopropyl]cyclopropane-1-carboxamide
SMILESCc1nc(CN(C)C(=O)CCNC(=O)C2CC2C)n[nH]1
InChIInChI=1S/C13H21N5O2/c1-8-6-10(8)13(20)14-5-4-12(19)18(3)7-11-15-9(2)16-17-11/h8,10H,4-7H2,1-3H3,(H,14,20)(H,15,16,17)
InChIKeyWYNWKOLUGBSWGU-UHFFFAOYSA-N
XLogP0.23
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[3-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amino]-3-oxopropyl]cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amino]-3-oxopropyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-methyl-N-[3-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amino]-3-oxopropyl]cyclopropane-1-carboxamide (CID 64512398) is 2-methyl-N-[3-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amino]-3-oxopropyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-methyl-N-[3-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amino]-3-oxopropyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-methyl-N-[3-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amino]-3-oxopropyl]cyclopropane-1-carboxamide is Cc1nc(CN(C)C(=O)CCNC(=O)C2CC2C)n[nH]1.
What is the InChIKey of 2-methyl-N-[3-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amino]-3-oxopropyl]cyclopropane-1-carboxamide?
The InChIKey is WYNWKOLUGBSWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-8-6-10(8)13(20)14-5-4-12(19)18(3)7-11-15-9(2)16-17-11/h8,10H,4-7H2,1-3H3,(H,14,20)(H,15,16,17).
What are the key properties of 2-methyl-N-[3-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amino]-3-oxopropyl]cyclopropane-1-carboxamide?
2-methyl-N-[3-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amino]-3-oxopropyl]cyclopropane-1-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amino]-3-oxopropyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 64512398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).