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

C7H13N5O — CID 64519599

IUPAC2-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide
SMILESCc1nc(CN(C)C(=O)CN)n[nH]1
InChIInChI=1S/C7H13N5O/c1-5-9-6(11-10-5)4-12(2)7(13)3-8/h3-4,8H2,1-2H3,(H,9,10,11)
InChIKeyQHAUDROXTDNHSE-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.97
Rot. Bonds3

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

2-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide (PubChem CID 64519599) has the molecular formula C7H13N5O and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide
PubChem CID64519599
Molecular FormulaC7H13N5O
Molecular Weight183.21 g/mol
Exact Mass183.11
IUPAC Name2-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide
SMILESCc1nc(CN(C)C(=O)CN)n[nH]1
InChIInChI=1S/C7H13N5O/c1-5-9-6(11-10-5)4-12(2)7(13)3-8/h3-4,8H2,1-2H3,(H,9,10,11)
InChIKeyQHAUDROXTDNHSE-UHFFFAOYSA-N
XLogP-0.97
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide?
The IUPAC name of 2-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide (CID 64519599) is 2-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide is Cc1nc(CN(C)C(=O)CN)n[nH]1.
What is the InChIKey of 2-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide?
The InChIKey is QHAUDROXTDNHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O/c1-5-9-6(11-10-5)4-12(2)7(13)3-8/h3-4,8H2,1-2H3,(H,9,10,11).
What are the key properties of 2-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide?
2-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide has a molecular weight of 183.21 g/mol, XLogP of -0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide is sourced from PubChem (CID 64519599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).