2-[4-(aminomethyl)triazol-1-yl]-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)acetamide

C13H22N6O — CID 115460242

IUPAC2-[4-(aminomethyl)triazol-1-yl]-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)acetamide
SMILESNCc1cn(CC(=O)NC2CCN3CCCC3C2)nn1
InChIInChI=1S/C13H22N6O/c14-7-11-8-19(17-16-11)9-13(20)15-10-3-5-18-4-1-2-12(18)6-10/h8,10,12H,1-7,9,14H2,(H,15,20)
InChIKeyWMKQWSPMJMBCMM-UHFFFAOYSA-N
MW278.36 g/mol
LogP-0.52
Rot. Bonds4

About 2-[4-(aminomethyl)triazol-1-yl]-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)acetamide

2-[4-(aminomethyl)triazol-1-yl]-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)acetamide (PubChem CID 115460242) has the molecular formula C13H22N6O and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-[4-(aminomethyl)triazol-1-yl]-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)triazol-1-yl]-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)acetamide
PubChem CID115460242
Molecular FormulaC13H22N6O
Molecular Weight278.36 g/mol
Exact Mass278.19
IUPAC Name2-[4-(aminomethyl)triazol-1-yl]-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)acetamide
SMILESNCc1cn(CC(=O)NC2CCN3CCCC3C2)nn1
InChIInChI=1S/C13H22N6O/c14-7-11-8-19(17-16-11)9-13(20)15-10-3-5-18-4-1-2-12(18)6-10/h8,10,12H,1-7,9,14H2,(H,15,20)
InChIKeyWMKQWSPMJMBCMM-UHFFFAOYSA-N
XLogP-0.52
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-(aminomethyl)triazol-1-yl]-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)acetamide with MolForge

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Related Compounds

2-[4-(aminomethyl)triazol-1-yl]-N-cycloheptylacetamide
CID 55029706
2-[4-(aminomethyl)triazol-1-yl]-N-cyclooctylacetamide
CID 115458881
2-[4-(aminomethyl)triazol-1-yl]-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)acetamide
CID 115459133
2-[4-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]piperidin-1-yl]acetamide
CID 115459189
2-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-N-cyclopropylacetamide
CID 115458990
2-[4-(aminomethyl)triazol-1-yl]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone
CID 115459483
2-[4-(aminomethyl)triazol-1-yl]-N-(2-methylcyclopentyl)acetamide
CID 115459863
2-(4-aminophenyl)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)acetamide;dihydrochloride
CID 119854320
2-[4-(aminomethyl)triazol-1-yl]-N-(2-methylsulfanylcyclopentyl)acetamide
CID 114121457
4-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-N-cyclopropylbutanamide
CID 115460101
2-[4-(aminomethyl)triazol-1-yl]-1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone
CID 115460124
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-sulfanylpropanamide
CID 107033181

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)acetamide (CID 115460242) is 2-[4-(aminomethyl)triazol-1-yl]-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)triazol-1-yl]-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)triazol-1-yl]-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)acetamide is NCc1cn(CC(=O)NC2CCN3CCCC3C2)nn1.
What is the InChIKey of 2-[4-(aminomethyl)triazol-1-yl]-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)acetamide?
The InChIKey is WMKQWSPMJMBCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O/c14-7-11-8-19(17-16-11)9-13(20)15-10-3-5-18-4-1-2-12(18)6-10/h8,10,12H,1-7,9,14H2,(H,15,20).
What are the key properties of 2-[4-(aminomethyl)triazol-1-yl]-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)acetamide?
2-[4-(aminomethyl)triazol-1-yl]-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)acetamide has a molecular weight of 278.36 g/mol, XLogP of -0.52, 4 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-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)acetamide is sourced from PubChem (CID 115460242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).