4-amino-6-propyl-1,3,5-triazine-2-carboxamide

C7H11N5O — CID 90380601

IUPAC4-amino-6-propyl-1,3,5-triazine-2-carboxamide
SMILESCCCc1nc(N)nc(C(N)=O)n1
InChIInChI=1S/C7H11N5O/c1-2-3-4-10-6(5(8)13)12-7(9)11-4/h2-3H2,1H3,(H2,8,13)(H2,9,10,11,12)
InChIKeyULAXFZHTNRIXTN-UHFFFAOYSA-N
MW181.20 g/mol
LogP-0.49
Rot. Bonds3

About 4-amino-6-propyl-1,3,5-triazine-2-carboxamide

4-amino-6-propyl-1,3,5-triazine-2-carboxamide (PubChem CID 90380601) has the molecular formula C7H11N5O and a molecular weight of 181.20 g/mol. Its IUPAC name is 4-amino-6-propyl-1,3,5-triazine-2-carboxamide.

Molecular Properties

Compound Name4-amino-6-propyl-1,3,5-triazine-2-carboxamide
PubChem CID90380601
Molecular FormulaC7H11N5O
Molecular Weight181.20 g/mol
Exact Mass181.10
IUPAC Name4-amino-6-propyl-1,3,5-triazine-2-carboxamide
SMILESCCCc1nc(N)nc(C(N)=O)n1
InChIInChI=1S/C7H11N5O/c1-2-3-4-10-6(5(8)13)12-7(9)11-4/h2-3H2,1H3,(H2,8,13)(H2,9,10,11,12)
InChIKeyULAXFZHTNRIXTN-UHFFFAOYSA-N
XLogP-0.49
TPSA107.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,4-dimethyl-6-(methylamino)-1,3,5-triazine-2-carboxamide
CID 76316488
4-Butyl-6-methyl-1,3,5-triazine-2-carboxamide
CID 90391478
4,6-Dimethyl-1,3,5-triazine-2-carboxamide
CID 118936004
4-Butyl-1,3,5-triazine-2-carboxamide
CID 118936266
4,6-Dibutyl-1,3,5-triazine-2-carboxamide
CID 118936403
4-Ethyl-1,3,5-triazine-2-carboxamide
CID 140726341
4-Propan-2-yl-1,3,5-triazine-2-carboxamide
CID 140726361
4-Amino-6-propyl-1,3,5-triazine-2-carbonitrile;4-amino-6-propyl-1,3,5-triazine-2-carboxamide
CID 161157990
2-(4-Amino-6-propyl-1,3,5-triazin-2-yl)acetamide
CID 63868184
6-Methyl-1,3,5-triazine-2,4-dicarboxamide
CID 129935710
2-[(4-Amino-6-ethyl-1,3,5-triazin-2-yl)amino]acetamide
CID 130532629

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-propyl-1,3,5-triazine-2-carboxamide?
The IUPAC name of 4-amino-6-propyl-1,3,5-triazine-2-carboxamide (CID 90380601) is 4-amino-6-propyl-1,3,5-triazine-2-carboxamide.
What is the SMILES notation for 4-amino-6-propyl-1,3,5-triazine-2-carboxamide?
The canonical SMILES for 4-amino-6-propyl-1,3,5-triazine-2-carboxamide is CCCc1nc(N)nc(C(N)=O)n1.
What is the InChIKey of 4-amino-6-propyl-1,3,5-triazine-2-carboxamide?
The InChIKey is ULAXFZHTNRIXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O/c1-2-3-4-10-6(5(8)13)12-7(9)11-4/h2-3H2,1H3,(H2,8,13)(H2,9,10,11,12).
What are the key properties of 4-amino-6-propyl-1,3,5-triazine-2-carboxamide?
4-amino-6-propyl-1,3,5-triazine-2-carboxamide has a molecular weight of 181.20 g/mol, XLogP of -0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-propyl-1,3,5-triazine-2-carboxamide is sourced from PubChem (CID 90380601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).