2-[4-(aminomethyl)triazol-1-yl]-N-[2-[cyclopentyl(methyl)amino]ethyl]acetamide

C13H24N6O — CID 115459869

IUPAC2-[4-(aminomethyl)triazol-1-yl]-N-[2-[cyclopentyl(methyl)amino]ethyl]acetamide
SMILESCN(CCNC(=O)Cn1cc(CN)nn1)C1CCCC1
InChIInChI=1S/C13H24N6O/c1-18(12-4-2-3-5-12)7-6-15-13(20)10-19-9-11(8-14)16-17-19/h9,12H,2-8,10,14H2,1H3,(H,15,20)
InChIKeyKXOPFWCPXOZQHE-UHFFFAOYSA-N
MW280.38 g/mol
LogP-0.27
Rot. Bonds7

About 2-[4-(aminomethyl)triazol-1-yl]-N-[2-[cyclopentyl(methyl)amino]ethyl]acetamide

2-[4-(aminomethyl)triazol-1-yl]-N-[2-[cyclopentyl(methyl)amino]ethyl]acetamide (PubChem CID 115459869) has the molecular formula C13H24N6O and a molecular weight of 280.38 g/mol. Its IUPAC name is 2-[4-(aminomethyl)triazol-1-yl]-N-[2-[cyclopentyl(methyl)amino]ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)triazol-1-yl]-N-[2-[cyclopentyl(methyl)amino]ethyl]acetamide
PubChem CID115459869
Molecular FormulaC13H24N6O
Molecular Weight280.38 g/mol
Exact Mass280.20
IUPAC Name2-[4-(aminomethyl)triazol-1-yl]-N-[2-[cyclopentyl(methyl)amino]ethyl]acetamide
SMILESCN(CCNC(=O)Cn1cc(CN)nn1)C1CCCC1
InChIInChI=1S/C13H24N6O/c1-18(12-4-2-3-5-12)7-6-15-13(20)10-19-9-11(8-14)16-17-19/h9,12H,2-8,10,14H2,1H3,(H,15,20)
InChIKeyKXOPFWCPXOZQHE-UHFFFAOYSA-N
XLogP-0.27
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-[2-[cyclopentyl(methyl)amino]ethyl]acetamide?
The IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-[2-[cyclopentyl(methyl)amino]ethyl]acetamide (CID 115459869) is 2-[4-(aminomethyl)triazol-1-yl]-N-[2-[cyclopentyl(methyl)amino]ethyl]acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)triazol-1-yl]-N-[2-[cyclopentyl(methyl)amino]ethyl]acetamide?
The canonical SMILES for 2-[4-(aminomethyl)triazol-1-yl]-N-[2-[cyclopentyl(methyl)amino]ethyl]acetamide is CN(CCNC(=O)Cn1cc(CN)nn1)C1CCCC1.
What is the InChIKey of 2-[4-(aminomethyl)triazol-1-yl]-N-[2-[cyclopentyl(methyl)amino]ethyl]acetamide?
The InChIKey is KXOPFWCPXOZQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6O/c1-18(12-4-2-3-5-12)7-6-15-13(20)10-19-9-11(8-14)16-17-19/h9,12H,2-8,10,14H2,1H3,(H,15,20).
What are the key properties of 2-[4-(aminomethyl)triazol-1-yl]-N-[2-[cyclopentyl(methyl)amino]ethyl]acetamide?
2-[4-(aminomethyl)triazol-1-yl]-N-[2-[cyclopentyl(methyl)amino]ethyl]acetamide has a molecular weight of 280.38 g/mol, XLogP of -0.27, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)triazol-1-yl]-N-[2-[cyclopentyl(methyl)amino]ethyl]acetamide is sourced from PubChem (CID 115459869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).