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

C13H18N6O — CID 62117868

IUPAC4-amino-1-cyclopropyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrole-2-carboxamide
SMILESCC(NC(=O)c1cc(N)cn1C1CC1)c1nncn1C
InChIInChI=1S/C13H18N6O/c1-8(12-17-15-7-18(12)2)16-13(20)11-5-9(14)6-19(11)10-3-4-10/h5-8,10H,3-4,14H2,1-2H3,(H,16,20)
InChIKeyMGQKZAFCJKMLSE-UHFFFAOYSA-N
MW274.33 g/mol
LogP1.02
Rot. Bonds4

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

4-amino-1-cyclopropyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrole-2-carboxamide (PubChem CID 62117868) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 4-amino-1-cyclopropyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-cyclopropyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrole-2-carboxamide
PubChem CID62117868
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name4-amino-1-cyclopropyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrole-2-carboxamide
SMILESCC(NC(=O)c1cc(N)cn1C1CC1)c1nncn1C
InChIInChI=1S/C13H18N6O/c1-8(12-17-15-7-18(12)2)16-13(20)11-5-9(14)6-19(11)10-3-4-10/h5-8,10H,3-4,14H2,1-2H3,(H,16,20)
InChIKeyMGQKZAFCJKMLSE-UHFFFAOYSA-N
XLogP1.02
TPSA90.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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4-amino-1-cyclopropyl-N-[1-(2-methylphenyl)ethyl]pyrrole-2-carboxamide
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4-amino-1-cyclopropyl-N-(3-ethylpentan-2-yl)pyrrole-2-carboxamide
CID 63842385
5-amino-2-chloro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
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CID 62119905
4-amino-1-cyclopropyl-N-[1-(oxolan-2-yl)ethyl]pyrrole-2-carboxamide
CID 43643692
4-amino-1-cyclopropyl-N-(2,3-dimethylbutyl)pyrrole-2-carboxamide
CID 64569791
6-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-benzodioxole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-cyclopropyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-cyclopropyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrole-2-carboxamide (CID 62117868) is 4-amino-1-cyclopropyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-cyclopropyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-cyclopropyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrole-2-carboxamide is CC(NC(=O)c1cc(N)cn1C1CC1)c1nncn1C.
What is the InChIKey of 4-amino-1-cyclopropyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrole-2-carboxamide?
The InChIKey is MGQKZAFCJKMLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-8(12-17-15-7-18(12)2)16-13(20)11-5-9(14)6-19(11)10-3-4-10/h5-8,10H,3-4,14H2,1-2H3,(H,16,20).
What are the key properties of 4-amino-1-cyclopropyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrole-2-carboxamide?
4-amino-1-cyclopropyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrole-2-carboxamide has a molecular weight of 274.33 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-cyclopropyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrole-2-carboxamide is sourced from PubChem (CID 62117868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).