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

C11H15N7 — CID 80784120

IUPAC2-N-(cyclobutylmethyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
SMILESNc1nc(NCC2CCC2)nc(-n2cccn2)n1
InChIInChI=1S/C11H15N7/c12-9-15-10(13-7-8-3-1-4-8)17-11(16-9)18-6-2-5-14-18/h2,5-6,8H,1,3-4,7H2,(H3,12,13,15,16,17)
InChIKeyZJKPDRWXRWOAKD-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.85
Rot. Bonds4

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

2-N-(cyclobutylmethyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 80784120) has the molecular formula C11H15N7 and a molecular weight of 245.29 g/mol. Its IUPAC name is 2-N-(cyclobutylmethyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(cyclobutylmethyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID80784120
Molecular FormulaC11H15N7
Molecular Weight245.29 g/mol
Exact Mass245.14
IUPAC Name2-N-(cyclobutylmethyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
SMILESNc1nc(NCC2CCC2)nc(-n2cccn2)n1
InChIInChI=1S/C11H15N7/c12-9-15-10(13-7-8-3-1-4-8)17-11(16-9)18-6-2-5-14-18/h2,5-6,8H,1,3-4,7H2,(H3,12,13,15,16,17)
InChIKeyZJKPDRWXRWOAKD-UHFFFAOYSA-N
XLogP0.85
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-N-(oxan-4-ylmethyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80846232
2-N-(cyclobutylmethyl)-4-N-ethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80782523
2-N-[(1-methylpyrrolidin-2-yl)methyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 106029137
6-pyrazol-1-yl-2-N-(2-pyrrolidin-1-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80832241
2-N-(cyclopropylmethyl)-4-N-propyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80769428
6-pyrazol-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
CID 80786209
2-N-[2-(dimethylamino)ethyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80770186
2-N-(2-methylcyclohexyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80778221
2-[2-[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]ethoxy]ethanol
CID 80826375
2-N,4-N-bis(cyclohexylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 23290172
2-N-(2-phenylethyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80772450
6-pyrazol-1-yl-2-N-(2,3,3-trimethylbutyl)-1,3,5-triazine-2,4-diamine
CID 83146536

Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclobutylmethyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(cyclobutylmethyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine (CID 80784120) is 2-N-(cyclobutylmethyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(cyclobutylmethyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(cyclobutylmethyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine is Nc1nc(NCC2CCC2)nc(-n2cccn2)n1.
What is the InChIKey of 2-N-(cyclobutylmethyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is ZJKPDRWXRWOAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7/c12-9-15-10(13-7-8-3-1-4-8)17-11(16-9)18-6-2-5-14-18/h2,5-6,8H,1,3-4,7H2,(H3,12,13,15,16,17).
What are the key properties of 2-N-(cyclobutylmethyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
2-N-(cyclobutylmethyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 245.29 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclobutylmethyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80784120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).