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

C12H20N6O2 — CID 115459024

IUPAC1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1C(=O)Cn1cc(CN)nn1
InChIInChI=1S/C12H20N6O2/c1-16(2)12(20)10-4-3-5-18(10)11(19)8-17-7-9(6-13)14-15-17/h7,10H,3-6,8,13H2,1-2H3
InChIKeyNEHZRLVMOAMVEW-UHFFFAOYSA-N
MW280.33 g/mol
LogP-1.18
Rot. Bonds4

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

1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 115459024) has the molecular formula C12H20N6O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]-N,N-dimethylpyrrolidine-2-carboxamide
PubChem CID115459024
Molecular FormulaC12H20N6O2
Molecular Weight280.33 g/mol
Exact Mass280.16
IUPAC Name1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1C(=O)Cn1cc(CN)nn1
InChIInChI=1S/C12H20N6O2/c1-16(2)12(20)10-4-3-5-18(10)11(19)8-17-7-9(6-13)14-15-17/h7,10H,3-6,8,13H2,1-2H3
InChIKeyNEHZRLVMOAMVEW-UHFFFAOYSA-N
XLogP-1.18
TPSA97.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-1.18
H-Bond Donors ≤ 51
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,N-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]-N,N-dimethylpyrrolidine-2-carboxamide (CID 115459024) is 1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]-N,N-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]-N,N-dimethylpyrrolidine-2-carboxamide is CN(C)C(=O)C1CCCN1C(=O)Cn1cc(CN)nn1.
What is the InChIKey of 1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The InChIKey is NEHZRLVMOAMVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O2/c1-16(2)12(20)10-4-3-5-18(10)11(19)8-17-7-9(6-13)14-15-17/h7,10H,3-6,8,13H2,1-2H3.
What are the key properties of 1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]-N,N-dimethylpyrrolidine-2-carboxamide?
1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 280.33 g/mol, XLogP of -1.18, 4 rotatable bonds, 1 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,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 115459024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).