N-(1-amino-2-methylpropan-2-yl)-3-(triazol-1-yl)propanamide

C9H17N5O — CID 63193740

IUPACN-(1-amino-2-methylpropan-2-yl)-3-(triazol-1-yl)propanamide
SMILESCC(C)(CN)NC(=O)CCn1ccnn1
InChIInChI=1S/C9H17N5O/c1-9(2,7-10)12-8(15)3-5-14-6-4-11-13-14/h4,6H,3,5,7,10H2,1-2H3,(H,12,15)
InChIKeyIDIDEWNZJIHFQC-UHFFFAOYSA-N
MW211.27 g/mol
LogP-0.48
Rot. Bonds5

About N-(1-amino-2-methylpropan-2-yl)-3-(triazol-1-yl)propanamide

N-(1-amino-2-methylpropan-2-yl)-3-(triazol-1-yl)propanamide (PubChem CID 63193740) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-3-(triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-3-(triazol-1-yl)propanamide
PubChem CID63193740
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-3-(triazol-1-yl)propanamide
SMILESCC(C)(CN)NC(=O)CCn1ccnn1
InChIInChI=1S/C9H17N5O/c1-9(2,7-10)12-8(15)3-5-14-6-4-11-13-14/h4,6H,3,5,7,10H2,1-2H3,(H,12,15)
InChIKeyIDIDEWNZJIHFQC-UHFFFAOYSA-N
XLogP-0.48
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-3-(triazol-1-yl)propanamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-3-(triazol-1-yl)propanamide (CID 63193740) is N-(1-amino-2-methylpropan-2-yl)-3-(triazol-1-yl)propanamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-3-(triazol-1-yl)propanamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-3-(triazol-1-yl)propanamide is CC(C)(CN)NC(=O)CCn1ccnn1.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-3-(triazol-1-yl)propanamide?
The InChIKey is IDIDEWNZJIHFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-9(2,7-10)12-8(15)3-5-14-6-4-11-13-14/h4,6H,3,5,7,10H2,1-2H3,(H,12,15).
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-3-(triazol-1-yl)propanamide?
N-(1-amino-2-methylpropan-2-yl)-3-(triazol-1-yl)propanamide has a molecular weight of 211.27 g/mol, XLogP of -0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-3-(triazol-1-yl)propanamide is sourced from PubChem (CID 63193740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).