2-N-cyclobutyl-4-N-ethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine

C12H17N7 — CID 80827140

IUPAC2-N-cyclobutyl-4-N-ethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NC2CCC2)nc(-n2cccn2)n1
InChIInChI=1S/C12H17N7/c1-2-13-10-16-11(15-9-5-3-6-9)18-12(17-10)19-8-4-7-14-19/h4,7-9H,2-3,5-6H2,1H3,(H2,13,15,16,17,18)
InChIKeyNIFPGXSZBRINSW-UHFFFAOYSA-N
MW259.32 g/mol
LogP1.45
Rot. Bonds5

About 2-N-cyclobutyl-4-N-ethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine

2-N-cyclobutyl-4-N-ethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 80827140) has the molecular formula C12H17N7 and a molecular weight of 259.32 g/mol. Its IUPAC name is 2-N-cyclobutyl-4-N-ethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-cyclobutyl-4-N-ethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID80827140
Molecular FormulaC12H17N7
Molecular Weight259.32 g/mol
Exact Mass259.15
IUPAC Name2-N-cyclobutyl-4-N-ethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NC2CCC2)nc(-n2cccn2)n1
InChIInChI=1S/C12H17N7/c1-2-13-10-16-11(15-9-5-3-6-9)18-12(17-10)19-8-4-7-14-19/h4,7-9H,2-3,5-6H2,1H3,(H2,13,15,16,17,18)
InChIKeyNIFPGXSZBRINSW-UHFFFAOYSA-N
XLogP1.45
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-N-(cyclobutylmethyl)-4-N-ethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80782523
4-N-ethyl-2-N-(oxolan-3-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80853918
N-cyclobutyl-4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80919597
2-N-(2-cyclopropylethyl)-4-N-ethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80846875
3-[[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]methyl]cyclobutan-1-ol
CID 80832734
2-N-butyl-4-N-ethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80785977
4-N-methyl-2-N-(4-methylcyclohexyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80773650
5-[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]pentan-1-ol
CID 107324134
1-[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]propan-2-ol
CID 80780224
2-N-(cyclopropylmethyl)-4-N-propyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80769428
2-N-cyclobutyl-4-N-ethyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80826457
4-butoxy-N-ethyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80865516

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclobutyl-4-N-ethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-cyclobutyl-4-N-ethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine (CID 80827140) is 2-N-cyclobutyl-4-N-ethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-cyclobutyl-4-N-ethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-cyclobutyl-4-N-ethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine is CCNc1nc(NC2CCC2)nc(-n2cccn2)n1.
What is the InChIKey of 2-N-cyclobutyl-4-N-ethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is NIFPGXSZBRINSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N7/c1-2-13-10-16-11(15-9-5-3-6-9)18-12(17-10)19-8-4-7-14-19/h4,7-9H,2-3,5-6H2,1H3,(H2,13,15,16,17,18).
What are the key properties of 2-N-cyclobutyl-4-N-ethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
2-N-cyclobutyl-4-N-ethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 259.32 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclobutyl-4-N-ethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80827140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).