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

C13H18N6O — CID 64512324

IUPAC4-amino-1-cyclopropyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrrole-2-carboxamide
SMILESCc1nc(CN(C)C(=O)c2cc(N)cn2C2CC2)n[nH]1
InChIInChI=1S/C13H18N6O/c1-8-15-12(17-16-8)7-18(2)13(20)11-5-9(14)6-19(11)10-3-4-10/h5-6,10H,3-4,7,14H2,1-2H3,(H,15,16,17)
InChIKeyZRKOTNAYHOPBGT-UHFFFAOYSA-N
MW274.33 g/mol
LogP1.10
Rot. Bonds4

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

4-amino-1-cyclopropyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrrole-2-carboxamide (PubChem CID 64512324) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 4-amino-1-cyclopropyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-cyclopropyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrrole-2-carboxamide
PubChem CID64512324
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name4-amino-1-cyclopropyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrrole-2-carboxamide
SMILESCc1nc(CN(C)C(=O)c2cc(N)cn2C2CC2)n[nH]1
InChIInChI=1S/C13H18N6O/c1-8-15-12(17-16-8)7-18(2)13(20)11-5-9(14)6-19(11)10-3-4-10/h5-6,10H,3-4,7,14H2,1-2H3,(H,15,16,17)
InChIKeyZRKOTNAYHOPBGT-UHFFFAOYSA-N
XLogP1.10
TPSA92.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

4-amino-N-[(4-chlorophenyl)methyl]-1-cyclopropyl-N-methylpyrrole-2-carboxamide
CID 61118290
4-amino-1-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-N-methylpyrrole-2-carboxamide
CID 61115901
5-amino-2,3-dichloro-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide
CID 107185298
3-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-5-carboxamide
CID 64525861
N,1-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrrole-2-carboxamide
CID 64510991
3-amino-5-bromo-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide
CID 107872823
5-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-nitrobenzamide
CID 64517176
4-amino-1-cyclopropyl-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylpyrrole-2-carboxamide
CID 113475372
3,6-dichloro-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridazine-4-carboxamide
CID 64512743
2-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide
CID 64517177
N,6-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide
CID 103718200
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-propylpyrrole-2-carboxamide
CID 64512371

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-cyclopropyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-cyclopropyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrrole-2-carboxamide (CID 64512324) is 4-amino-1-cyclopropyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-cyclopropyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-cyclopropyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrrole-2-carboxamide is Cc1nc(CN(C)C(=O)c2cc(N)cn2C2CC2)n[nH]1.
What is the InChIKey of 4-amino-1-cyclopropyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrrole-2-carboxamide?
The InChIKey is ZRKOTNAYHOPBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-8-15-12(17-16-8)7-18(2)13(20)11-5-9(14)6-19(11)10-3-4-10/h5-6,10H,3-4,7,14H2,1-2H3,(H,15,16,17).
What are the key properties of 4-amino-1-cyclopropyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrrole-2-carboxamide?
4-amino-1-cyclopropyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrrole-2-carboxamide has a molecular weight of 274.33 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-cyclopropyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrrole-2-carboxamide is sourced from PubChem (CID 64512324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).