4-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide

C8H15N5O — CID 64519801

IUPAC4-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
SMILESCN(Cc1ncn[nH]1)C(=O)CCCN
InChIInChI=1S/C8H15N5O/c1-13(8(14)3-2-4-9)5-7-10-6-11-12-7/h6H,2-5,9H2,1H3,(H,10,11,12)
InChIKeyQNXWXTKTIRKAIA-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.50
Rot. Bonds5

About 4-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide

4-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide (PubChem CID 64519801) has the molecular formula C8H15N5O and a molecular weight of 197.24 g/mol. Its IUPAC name is 4-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
PubChem CID64519801
Molecular FormulaC8H15N5O
Molecular Weight197.24 g/mol
Exact Mass197.13
IUPAC Name4-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
SMILESCN(Cc1ncn[nH]1)C(=O)CCCN
InChIInChI=1S/C8H15N5O/c1-13(8(14)3-2-4-9)5-7-10-6-11-12-7/h6H,2-5,9H2,1H3,(H,10,11,12)
InChIKeyQNXWXTKTIRKAIA-UHFFFAOYSA-N
XLogP-0.50
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)hept-6-ynamide
CID 103908758
4-amino-N,3-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 81080305
N-methyl-3-(propan-2-ylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 64517093
N,3-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 64510292
2-[2-(aminomethyl)phenyl]-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 81322774
4-amino-3-methoxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 103155987
4-amino-N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 80545154
3-(2-hydroxyphenyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 64510727
3-(3,5-dimethylphenoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 64510103
3-amino-N,2,2,3-tetramethyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 65267279
2-amino-N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 64519414
N-methyl-2-propan-2-yloxy-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 112695743

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide?
The IUPAC name of 4-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide (CID 64519801) is 4-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide.
What is the SMILES notation for 4-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide?
The canonical SMILES for 4-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide is CN(Cc1ncn[nH]1)C(=O)CCCN.
What is the InChIKey of 4-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide?
The InChIKey is QNXWXTKTIRKAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O/c1-13(8(14)3-2-4-9)5-7-10-6-11-12-7/h6H,2-5,9H2,1H3,(H,10,11,12).
What are the key properties of 4-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide?
4-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide has a molecular weight of 197.24 g/mol, XLogP of -0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide is sourced from PubChem (CID 64519801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).