1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]-N-methylpyrrolidine-2-carboxamide

C11H18N6O2 — CID 115459439

IUPAC1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)Cn1cc(CN)nn1
InChIInChI=1S/C11H18N6O2/c1-13-11(19)9-3-2-4-17(9)10(18)7-16-6-8(5-12)14-15-16/h6,9H,2-5,7,12H2,1H3,(H,13,19)
InChIKeyQFIRPFJDOWCEQY-UHFFFAOYSA-N
MW266.31 g/mol
LogP-1.53
Rot. Bonds4

About 1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]-N-methylpyrrolidine-2-carboxamide

1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 115459439) has the molecular formula C11H18N6O2 and a molecular weight of 266.31 g/mol. Its IUPAC name is 1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]-N-methylpyrrolidine-2-carboxamide
PubChem CID115459439
Molecular FormulaC11H18N6O2
Molecular Weight266.31 g/mol
Exact Mass266.15
IUPAC Name1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)Cn1cc(CN)nn1
InChIInChI=1S/C11H18N6O2/c1-13-11(19)9-3-2-4-17(9)10(18)7-16-6-8(5-12)14-15-16/h6,9H,2-5,7,12H2,1H3,(H,13,19)
InChIKeyQFIRPFJDOWCEQY-UHFFFAOYSA-N
XLogP-1.53
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 5-1.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]-N-methylpyrrolidine-2-carboxamide (CID 115459439) is 1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]-N-methylpyrrolidine-2-carboxamide is CNC(=O)C1CCCN1C(=O)Cn1cc(CN)nn1.
What is the InChIKey of 1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is QFIRPFJDOWCEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O2/c1-13-11(19)9-3-2-4-17(9)10(18)7-16-6-8(5-12)14-15-16/h6,9H,2-5,7,12H2,1H3,(H,13,19).
What are the key properties of 1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]-N-methylpyrrolidine-2-carboxamide?
1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 266.31 g/mol, XLogP of -1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 115459439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).