N-[(1R)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]pyridine-2-carboxamide

C13H15N5O — CID 95155743

About N-[(1R)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]pyridine-2-carboxamide

N-[(1R)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]pyridine-2-carboxamide (PubChem CID 95155743) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is N-[(1R)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(1R)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]pyridine-2-carboxamide
• PubChem CID: 95155743
• Molecular Formula: C13H15N5O
• Molecular Weight: 257.30 g/mol
• Exact Mass: 257.13
• IUPAC Name: N-[(1R)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]pyridine-2-carboxamide
• SMILES: C[C@@H](NC(=O)c1ccccn1)c1nnc2n1CCC2
• InChI: InChI=1S/C13H15N5O/c1-9(12-17-16-11-6-4-8-18(11)12)15-13(19)10-5-2-3-7-14-10/h2-3,5,7,9H,4,6,8H2,1H3,(H,15,19)/t9-/m1/s1
• InChIKey: VRYYRHIEMJGKDY-SECBINFHSA-N
• XLogP: 1.11
• TPSA: 72.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	257.30
LogP ≤ 5	1.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]pyridine-2-carboxamide?

The IUPAC name of N-[(1R)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]pyridine-2-carboxamide (CID 95155743) is N-[(1R)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]pyridine-2-carboxamide.

What is the SMILES notation for N-[(1R)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]pyridine-2-carboxamide?

The canonical SMILES for N-[(1R)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]pyridine-2-carboxamide is C[C@@H](NC(=O)c1ccccn1)c1nnc2n1CCC2.

What is the InChIKey of N-[(1R)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]pyridine-2-carboxamide?

The InChIKey is VRYYRHIEMJGKDY-SECBINFHSA-N. The full InChI is InChI=1S/C13H15N5O/c1-9(12-17-16-11-6-4-8-18(11)12)15-13(19)10-5-2-3-7-14-10/h2-3,5,7,9H,4,6,8H2,1H3,(H,15,19)/t9-/m1/s1.

What are the key properties of N-[(1R)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]pyridine-2-carboxamide?

N-[(1R)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]pyridine-2-carboxamide has a molecular weight of 257.30 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 95155743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).