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

C10H19N5O — CID 80545123

IUPAC4-amino-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]butanamide
SMILESCc1nc(CN(C)C(=O)C(C)CCN)n[nH]1
InChIInChI=1S/C10H19N5O/c1-7(4-5-11)10(16)15(3)6-9-12-8(2)13-14-9/h7H,4-6,11H2,1-3H3,(H,12,13,14)
InChIKeyOCPFERCCPUEEOL-UHFFFAOYSA-N
MW225.30 g/mol
LogP0.06
Rot. Bonds5

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

4-amino-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]butanamide (PubChem CID 80545123) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is 4-amino-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]butanamide.

Molecular Properties

Compound Name4-amino-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]butanamide
PubChem CID80545123
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC Name4-amino-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]butanamide
SMILESCc1nc(CN(C)C(=O)C(C)CCN)n[nH]1
InChIInChI=1S/C10H19N5O/c1-7(4-5-11)10(16)15(3)6-9-12-8(2)13-14-9/h7H,4-6,11H2,1-3H3,(H,12,13,14)
InChIKeyOCPFERCCPUEEOL-UHFFFAOYSA-N
XLogP0.06
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]butanamide?
The IUPAC name of 4-amino-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]butanamide (CID 80545123) is 4-amino-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]butanamide.
What is the SMILES notation for 4-amino-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]butanamide?
The canonical SMILES for 4-amino-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]butanamide is Cc1nc(CN(C)C(=O)C(C)CCN)n[nH]1.
What is the InChIKey of 4-amino-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]butanamide?
The InChIKey is OCPFERCCPUEEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-7(4-5-11)10(16)15(3)6-9-12-8(2)13-14-9/h7H,4-6,11H2,1-3H3,(H,12,13,14).
What are the key properties of 4-amino-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]butanamide?
4-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 0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]butanamide is sourced from PubChem (CID 80545123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).