N-butyl-1,3,5-triazine-2-carboxamide

C8H12N4O — CID 67685815

IUPACN-butyl-1,3,5-triazine-2-carboxamide
SMILESCCCCNC(=O)c1ncncn1
InChIInChI=1S/C8H12N4O/c1-2-3-4-10-8(13)7-11-5-9-6-12-7/h5-6H,2-4H2,1H3,(H,10,13)
InChIKeySRSQXQQWYRGXNO-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.40
Rot. Bonds4

About N-butyl-1,3,5-triazine-2-carboxamide

N-butyl-1,3,5-triazine-2-carboxamide (PubChem CID 67685815) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is N-butyl-1,3,5-triazine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-1,3,5-triazine-2-carboxamide
PubChem CID67685815
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC NameN-butyl-1,3,5-triazine-2-carboxamide
SMILESCCCCNC(=O)c1ncncn1
InChIInChI=1S/C8H12N4O/c1-2-3-4-10-8(13)7-11-5-9-6-12-7/h5-6H,2-4H2,1H3,(H,10,13)
InChIKeySRSQXQQWYRGXNO-UHFFFAOYSA-N
XLogP0.40
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4,6-Bis(ethylamino)-1,3,5-triazine-2-carboxamide
CID 597626
N-ethyl-4-(ethylamino)-6-methyl-1,3,5-triazine-2-carboxamide
CID 76316489
N-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2-carboxamide
CID 140726364
N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide
CID 140726375
2,4,6-Tri(butylcarbamoyl)-1,3,5-triazine
CID 12040478
4-methyl-N-propyl-1,3,5-triazine-2-carboxamide
CID 53853569
N-ethyl-4-methyl-1,3,5-triazine-2-carboxamide
CID 53912485
4-methyl-N-pentyl-1,3,5-triazine-2-carboxamide
CID 54319717
N-butyl-4-methyl-1,3,5-triazine-2-carboxamide
CID 54374561
N-methyl-1,3,5-triazine-2-carboxamide
CID 67979738
N-ethyl-1,3,5-triazine-2-carboxamide
CID 69760476
N-propyl-1,3,5-triazine-2-carboxamide
CID 69760590

Frequently Asked Questions

What is the IUPAC name of N-butyl-1,3,5-triazine-2-carboxamide?
The IUPAC name of N-butyl-1,3,5-triazine-2-carboxamide (CID 67685815) is N-butyl-1,3,5-triazine-2-carboxamide.
What is the SMILES notation for N-butyl-1,3,5-triazine-2-carboxamide?
The canonical SMILES for N-butyl-1,3,5-triazine-2-carboxamide is CCCCNC(=O)c1ncncn1.
What is the InChIKey of N-butyl-1,3,5-triazine-2-carboxamide?
The InChIKey is SRSQXQQWYRGXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-2-3-4-10-8(13)7-11-5-9-6-12-7/h5-6H,2-4H2,1H3,(H,10,13).
What are the key properties of N-butyl-1,3,5-triazine-2-carboxamide?
N-butyl-1,3,5-triazine-2-carboxamide has a molecular weight of 180.21 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1,3,5-triazine-2-carboxamide is sourced from PubChem (CID 67685815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).