N-(1,3,5-triazin-2-yl)pentanamide

C8H12N4O — CID 150786870

IUPACN-(1,3,5-triazin-2-yl)pentanamide
SMILESCCCCC(=O)Nc1ncncn1
InChIInChI=1S/C8H12N4O/c1-2-3-4-7(13)12-8-10-5-9-6-11-8/h5-6H,2-4H2,1H3,(H,9,10,11,12,13)
InChIKeyKDAPWQZNGBYSPQ-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.00
Rot. Bonds4

About N-(1,3,5-triazin-2-yl)pentanamide

N-(1,3,5-triazin-2-yl)pentanamide (PubChem CID 150786870) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is N-(1,3,5-triazin-2-yl)pentanamide.

Molecular Properties

Compound NameN-(1,3,5-triazin-2-yl)pentanamide
PubChem CID150786870
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC NameN-(1,3,5-triazin-2-yl)pentanamide
SMILESCCCCC(=O)Nc1ncncn1
InChIInChI=1S/C8H12N4O/c1-2-3-4-7(13)12-8-10-5-9-6-11-8/h5-6H,2-4H2,1H3,(H,9,10,11,12,13)
InChIKeyKDAPWQZNGBYSPQ-UHFFFAOYSA-N
XLogP1.00
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 ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3,5-triazin-2-yl)pentanamide?
The IUPAC name of N-(1,3,5-triazin-2-yl)pentanamide (CID 150786870) is N-(1,3,5-triazin-2-yl)pentanamide.
What is the SMILES notation for N-(1,3,5-triazin-2-yl)pentanamide?
The canonical SMILES for N-(1,3,5-triazin-2-yl)pentanamide is CCCCC(=O)Nc1ncncn1.
What is the InChIKey of N-(1,3,5-triazin-2-yl)pentanamide?
The InChIKey is KDAPWQZNGBYSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-2-3-4-7(13)12-8-10-5-9-6-11-8/h5-6H,2-4H2,1H3,(H,9,10,11,12,13).
What are the key properties of N-(1,3,5-triazin-2-yl)pentanamide?
N-(1,3,5-triazin-2-yl)pentanamide has a molecular weight of 180.21 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3,5-triazin-2-yl)pentanamide is sourced from PubChem (CID 150786870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).