3-amino-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methyl-1H-pyrazole-5-carboxamide

C11H15N7O — CID 64525034

About 3-amino-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methyl-1H-pyrazole-5-carboxamide

3-amino-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methyl-1H-pyrazole-5-carboxamide (PubChem CID 64525034) has the molecular formula C11H15N7O and a molecular weight of 261.29 g/mol. Its IUPAC name is 3-amino-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methyl-1H-pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methyl-1H-pyrazole-5-carboxamide
• PubChem CID: 64525034
• Molecular Formula: C11H15N7O
• Molecular Weight: 261.29 g/mol
• Exact Mass: 261.13
• IUPAC Name: 3-amino-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methyl-1H-pyrazole-5-carboxamide
• SMILES: CN(Cc1nnc2n1CCC2)C(=O)c1cc(N)n[nH]1
• InChI: InChI=1S/C11H15N7O/c1-17(11(19)7-5-8(12)14-13-7)6-10-16-15-9-3-2-4-18(9)10/h5H,2-4,6H2,1H3,(H3,12,13,14)
• InChIKey: YWYHCHQBZNMZHG-UHFFFAOYSA-N
• XLogP: -0.20
• TPSA: 105.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	261.29
LogP ≤ 5	-0.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methyl-1H-pyrazole-5-carboxamide?

The IUPAC name of 3-amino-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methyl-1H-pyrazole-5-carboxamide (CID 64525034) is 3-amino-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methyl-1H-pyrazole-5-carboxamide.

What is the SMILES notation for 3-amino-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methyl-1H-pyrazole-5-carboxamide?

The canonical SMILES for 3-amino-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methyl-1H-pyrazole-5-carboxamide is CN(Cc1nnc2n1CCC2)C(=O)c1cc(N)n[nH]1.

What is the InChIKey of 3-amino-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methyl-1H-pyrazole-5-carboxamide?

The InChIKey is YWYHCHQBZNMZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7O/c1-17(11(19)7-5-8(12)14-13-7)6-10-16-15-9-3-2-4-18(9)10/h5H,2-4,6H2,1H3,(H3,12,13,14).

What are the key properties of 3-amino-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methyl-1H-pyrazole-5-carboxamide?

3-amino-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methyl-1H-pyrazole-5-carboxamide has a molecular weight of 261.29 g/mol, XLogP of -0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 64525034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).