2-(cyclopropylmethylamino)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)acetamide

C11H17N5O — CID 114387565

IUPAC2-(cyclopropylmethylamino)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)acetamide
SMILESCc1nnc(NC(=O)CNCC2CC2)nc1C
InChIInChI=1S/C11H17N5O/c1-7-8(2)15-16-11(13-7)14-10(17)6-12-5-9-3-4-9/h9,12H,3-6H2,1-2H3,(H,13,14,16,17)
InChIKeyCXAVBGXYFNCZRP-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.43
Rot. Bonds5

About 2-(cyclopropylmethylamino)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)acetamide

2-(cyclopropylmethylamino)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)acetamide (PubChem CID 114387565) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)acetamide.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)acetamide
PubChem CID114387565
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name2-(cyclopropylmethylamino)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)acetamide
SMILESCc1nnc(NC(=O)CNCC2CC2)nc1C
InChIInChI=1S/C11H17N5O/c1-7-8(2)15-16-11(13-7)14-10(17)6-12-5-9-3-4-9/h9,12H,3-6H2,1-2H3,(H,13,14,16,17)
InChIKeyCXAVBGXYFNCZRP-UHFFFAOYSA-N
XLogP0.43
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)acetamide?
The IUPAC name of 2-(cyclopropylmethylamino)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)acetamide (CID 114387565) is 2-(cyclopropylmethylamino)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)acetamide.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)acetamide?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)acetamide is Cc1nnc(NC(=O)CNCC2CC2)nc1C.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)acetamide?
The InChIKey is CXAVBGXYFNCZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-7-8(2)15-16-11(13-7)14-10(17)6-12-5-9-3-4-9/h9,12H,3-6H2,1-2H3,(H,13,14,16,17).
What are the key properties of 2-(cyclopropylmethylamino)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)acetamide?
2-(cyclopropylmethylamino)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)acetamide has a molecular weight of 235.29 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)acetamide is sourced from PubChem (CID 114387565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).