2-[4-(1-amino-2-methylpropyl)triazol-1-yl]-N-(cyclopropylmethyl)acetamide

C12H21N5O — CID 114202379

IUPAC2-[4-(1-amino-2-methylpropyl)triazol-1-yl]-N-(cyclopropylmethyl)acetamide
SMILESCC(C)C(N)c1cn(CC(=O)NCC2CC2)nn1
InChIInChI=1S/C12H21N5O/c1-8(2)12(13)10-6-17(16-15-10)7-11(18)14-5-9-3-4-9/h6,8-9,12H,3-5,7,13H2,1-2H3,(H,14,18)
InChIKeyZWKSDKBDQXVWCD-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.46
Rot. Bonds6

About 2-[4-(1-amino-2-methylpropyl)triazol-1-yl]-N-(cyclopropylmethyl)acetamide

2-[4-(1-amino-2-methylpropyl)triazol-1-yl]-N-(cyclopropylmethyl)acetamide (PubChem CID 114202379) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[4-(1-amino-2-methylpropyl)triazol-1-yl]-N-(cyclopropylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-(1-amino-2-methylpropyl)triazol-1-yl]-N-(cyclopropylmethyl)acetamide
PubChem CID114202379
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name2-[4-(1-amino-2-methylpropyl)triazol-1-yl]-N-(cyclopropylmethyl)acetamide
SMILESCC(C)C(N)c1cn(CC(=O)NCC2CC2)nn1
InChIInChI=1S/C12H21N5O/c1-8(2)12(13)10-6-17(16-15-10)7-11(18)14-5-9-3-4-9/h6,8-9,12H,3-5,7,13H2,1-2H3,(H,14,18)
InChIKeyZWKSDKBDQXVWCD-UHFFFAOYSA-N
XLogP0.46
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(1-aminoethyl)triazol-1-yl]-N-cyclohexylacetamide
CID 114420022
N-(2-acetamidoethyl)-2-[4-(1-aminoethyl)triazol-1-yl]acetamide
CID 114419547
1-[2-[(3-methylcyclopentyl)methylamino]-2-oxoethyl]triazole-4-carboxylic acid
CID 107414892
2-[4-(1-aminoethyl)triazol-1-yl]-N-benzylacetamide
CID 114419675
N-[[4-[(S)-acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-(4-methyltriazol-1-yl)acetamide
CID 98136040
2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(3-methylbutyl)acetamide
CID 80744115
2-[4-(1-aminopropyl)triazol-1-yl]-N-cyclohexylacetamide
CID 106227686
2-[4-(1-aminoethyl)triazol-1-yl]-N-(5-methylhexan-2-yl)acetamide
CID 114419810
2-[4-[(1R)-1-aminoethyl]triazol-1-yl]acetic acid
CID 96739590
2-[4-(1-aminoethyl)triazol-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 114419801
2-[4-(1-aminoethyl)triazol-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 114419663
2-[4-(1-aminobutyl)triazol-1-yl]-N-cyclohexylacetamide
CID 106228975

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-amino-2-methylpropyl)triazol-1-yl]-N-(cyclopropylmethyl)acetamide?
The IUPAC name of 2-[4-(1-amino-2-methylpropyl)triazol-1-yl]-N-(cyclopropylmethyl)acetamide (CID 114202379) is 2-[4-(1-amino-2-methylpropyl)triazol-1-yl]-N-(cyclopropylmethyl)acetamide.
What is the SMILES notation for 2-[4-(1-amino-2-methylpropyl)triazol-1-yl]-N-(cyclopropylmethyl)acetamide?
The canonical SMILES for 2-[4-(1-amino-2-methylpropyl)triazol-1-yl]-N-(cyclopropylmethyl)acetamide is CC(C)C(N)c1cn(CC(=O)NCC2CC2)nn1.
What is the InChIKey of 2-[4-(1-amino-2-methylpropyl)triazol-1-yl]-N-(cyclopropylmethyl)acetamide?
The InChIKey is ZWKSDKBDQXVWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-8(2)12(13)10-6-17(16-15-10)7-11(18)14-5-9-3-4-9/h6,8-9,12H,3-5,7,13H2,1-2H3,(H,14,18).
What are the key properties of 2-[4-(1-amino-2-methylpropyl)triazol-1-yl]-N-(cyclopropylmethyl)acetamide?
2-[4-(1-amino-2-methylpropyl)triazol-1-yl]-N-(cyclopropylmethyl)acetamide has a molecular weight of 251.33 g/mol, XLogP of 0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-amino-2-methylpropyl)triazol-1-yl]-N-(cyclopropylmethyl)acetamide is sourced from PubChem (CID 114202379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).