2-amino-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]butanamide

C10H19N5O — CID 79811921

IUPAC2-amino-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]butanamide
SMILESCCC(C)(N)C(=O)N(C)Cc1n[nH]c(C)n1
InChIInChI=1S/C10H19N5O/c1-5-10(3,11)9(16)15(4)6-8-12-7(2)13-14-8/h5-6,11H2,1-4H3,(H,12,13,14)
InChIKeyZCBOXZMTZHWQBN-UHFFFAOYSA-N
MW225.30 g/mol
LogP0.20
Rot. Bonds4

About 2-amino-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]butanamide

2-amino-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]butanamide (PubChem CID 79811921) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is 2-amino-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]butanamide.

Molecular Properties

Compound Name2-amino-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]butanamide
PubChem CID79811921
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC Name2-amino-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]butanamide
SMILESCCC(C)(N)C(=O)N(C)Cc1n[nH]c(C)n1
InChIInChI=1S/C10H19N5O/c1-5-10(3,11)9(16)15(4)6-8-12-7(2)13-14-8/h5-6,11H2,1-4H3,(H,12,13,14)
InChIKeyZCBOXZMTZHWQBN-UHFFFAOYSA-N
XLogP0.20
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]butanamide?
The IUPAC name of 2-amino-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]butanamide (CID 79811921) is 2-amino-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]butanamide.
What is the SMILES notation for 2-amino-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]butanamide?
The canonical SMILES for 2-amino-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]butanamide is CCC(C)(N)C(=O)N(C)Cc1n[nH]c(C)n1.
What is the InChIKey of 2-amino-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]butanamide?
The InChIKey is ZCBOXZMTZHWQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-5-10(3,11)9(16)15(4)6-8-12-7(2)13-14-8/h5-6,11H2,1-4H3,(H,12,13,14).
What are the key properties of 2-amino-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]butanamide?
2-amino-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]butanamide has a molecular weight of 225.30 g/mol, XLogP of 0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]butanamide is sourced from PubChem (CID 79811921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).