2-[4-(6-amino-3-pyridinyl)triazol-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide

C17H25N7O — CID 166329215

IUPAC2-[4-(6-amino-3-pyridinyl)triazol-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide
SMILESCC(C)N1CCC(NC(=O)Cn2cc(-c3ccc(N)nc3)nn2)CC1
InChIInChI=1S/C17H25N7O/c1-12(2)23-7-5-14(6-8-23)20-17(25)11-24-10-15(21-22-24)13-3-4-16(18)19-9-13/h3-4,9-10,12,14H,5-8,11H2,1-2H3,(H2,18,19)(H,20,25)
InChIKeyJPUJNWITXBAXSD-UHFFFAOYSA-N
MW343.44 g/mol
LogP0.91
Rot. Bonds5

About 2-[4-(6-amino-3-pyridinyl)triazol-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide

2-[4-(6-amino-3-pyridinyl)triazol-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide (PubChem CID 166329215) has the molecular formula C17H25N7O and a molecular weight of 343.44 g/mol. Its IUPAC name is 2-[4-(6-amino-3-pyridinyl)triazol-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-[4-(6-amino-3-pyridinyl)triazol-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide
PubChem CID166329215
Molecular FormulaC17H25N7O
Molecular Weight343.44 g/mol
Exact Mass343.21
IUPAC Name2-[4-(6-amino-3-pyridinyl)triazol-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide
SMILESCC(C)N1CCC(NC(=O)Cn2cc(-c3ccc(N)nc3)nn2)CC1
InChIInChI=1S/C17H25N7O/c1-12(2)23-7-5-14(6-8-23)20-17(25)11-24-10-15(21-22-24)13-3-4-16(18)19-9-13/h3-4,9-10,12,14H,5-8,11H2,1-2H3,(H2,18,19)(H,20,25)
InChIKeyJPUJNWITXBAXSD-UHFFFAOYSA-N
XLogP0.91
TPSA101.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.44
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(4-amino-3-methylphenyl)triazol-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 166314729
N-(1-propan-2-ylpiperidin-4-yl)-2-[4-(1-propan-2-ylpyrazol-4-yl)triazol-1-yl]acetamide
CID 166251333
2-[4-(3,5-dichlorophenyl)triazol-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 166329214
2-[4-(1-aminoethyl)triazol-1-yl]-N-cyclohexylacetamide
CID 114420022
(3R)-3-[[2-[4-(6-amino-3-pyridinyl)triazol-1-yl]acetyl]amino]-2-hydroxy-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid
CID 145274003
1-[2-(cyclohexylamino)-2-oxoethyl]triazole-4-carboxylic acid
CID 55134032
5-[6-(1-propan-2-ylpiperidin-4-yl)pyrazin-2-yl]pyridin-2-amine
CID 95819538
5-[1-[(4-propan-2-ylphenyl)methyl]triazol-4-yl]pyridin-2-amine
CID 141371516
2-(4-methylpiperidin-1-yl)-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 157336758
2-[4-(aminomethyl)triazol-1-yl]-N-cyclooctylacetamide
CID 115458881
2-[4-(aminomethyl)triazol-1-yl]-N-cycloheptylacetamide
CID 55029706
3-amino-3-phenyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 43711347

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-amino-3-pyridinyl)triazol-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide?
The IUPAC name of 2-[4-(6-amino-3-pyridinyl)triazol-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide (CID 166329215) is 2-[4-(6-amino-3-pyridinyl)triazol-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-[4-(6-amino-3-pyridinyl)triazol-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-[4-(6-amino-3-pyridinyl)triazol-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide is CC(C)N1CCC(NC(=O)Cn2cc(-c3ccc(N)nc3)nn2)CC1.
What is the InChIKey of 2-[4-(6-amino-3-pyridinyl)triazol-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide?
The InChIKey is JPUJNWITXBAXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7O/c1-12(2)23-7-5-14(6-8-23)20-17(25)11-24-10-15(21-22-24)13-3-4-16(18)19-9-13/h3-4,9-10,12,14H,5-8,11H2,1-2H3,(H2,18,19)(H,20,25).
What are the key properties of 2-[4-(6-amino-3-pyridinyl)triazol-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide?
2-[4-(6-amino-3-pyridinyl)triazol-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide has a molecular weight of 343.44 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-amino-3-pyridinyl)triazol-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide is sourced from PubChem (CID 166329215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).