2-N-(cyclobutylmethyl)-4-N-ethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine

C13H19N7 — CID 80782523

IUPAC2-N-(cyclobutylmethyl)-4-N-ethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NCC2CCC2)nc(-n2cccn2)n1
InChIInChI=1S/C13H19N7/c1-2-14-11-17-12(15-9-10-5-3-6-10)19-13(18-11)20-8-4-7-16-20/h4,7-8,10H,2-3,5-6,9H2,1H3,(H2,14,15,17,18,19)
InChIKeyKHHOTSWZCFFCLS-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.70
Rot. Bonds6

About 2-N-(cyclobutylmethyl)-4-N-ethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine

2-N-(cyclobutylmethyl)-4-N-ethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 80782523) has the molecular formula C13H19N7 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-N-(cyclobutylmethyl)-4-N-ethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(cyclobutylmethyl)-4-N-ethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID80782523
Molecular FormulaC13H19N7
Molecular Weight273.34 g/mol
Exact Mass273.17
IUPAC Name2-N-(cyclobutylmethyl)-4-N-ethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NCC2CCC2)nc(-n2cccn2)n1
InChIInChI=1S/C13H19N7/c1-2-14-11-17-12(15-9-10-5-3-6-10)19-13(18-11)20-8-4-7-16-20/h4,7-8,10H,2-3,5-6,9H2,1H3,(H2,14,15,17,18,19)
InChIKeyKHHOTSWZCFFCLS-UHFFFAOYSA-N
XLogP1.70
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclobutylmethyl)-4-N-ethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(cyclobutylmethyl)-4-N-ethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine (CID 80782523) is 2-N-(cyclobutylmethyl)-4-N-ethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(cyclobutylmethyl)-4-N-ethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(cyclobutylmethyl)-4-N-ethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine is CCNc1nc(NCC2CCC2)nc(-n2cccn2)n1.
What is the InChIKey of 2-N-(cyclobutylmethyl)-4-N-ethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is KHHOTSWZCFFCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7/c1-2-14-11-17-12(15-9-10-5-3-6-10)19-13(18-11)20-8-4-7-16-20/h4,7-8,10H,2-3,5-6,9H2,1H3,(H2,14,15,17,18,19).
What are the key properties of 2-N-(cyclobutylmethyl)-4-N-ethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
2-N-(cyclobutylmethyl)-4-N-ethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 273.34 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclobutylmethyl)-4-N-ethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80782523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).