2-N-[(1-methylpyrrolidin-2-yl)methyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine

C12H18N8 — CID 106029137

IUPAC2-N-[(1-methylpyrrolidin-2-yl)methyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
SMILESCN1CCCC1CNc1nc(N)nc(-n2cccn2)n1
InChIInChI=1S/C12H18N8/c1-19-6-2-4-9(19)8-14-11-16-10(13)17-12(18-11)20-7-3-5-15-20/h3,5,7,9H,2,4,6,8H2,1H3,(H3,13,14,16,17,18)
InChIKeyRJBKNTVTXVFHDK-UHFFFAOYSA-N
MW274.33 g/mol
LogP0.15
Rot. Bonds4

About 2-N-[(1-methylpyrrolidin-2-yl)methyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine

2-N-[(1-methylpyrrolidin-2-yl)methyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 106029137) has the molecular formula C12H18N8 and a molecular weight of 274.33 g/mol. Its IUPAC name is 2-N-[(1-methylpyrrolidin-2-yl)methyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(1-methylpyrrolidin-2-yl)methyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID106029137
Molecular FormulaC12H18N8
Molecular Weight274.33 g/mol
Exact Mass274.17
IUPAC Name2-N-[(1-methylpyrrolidin-2-yl)methyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
SMILESCN1CCCC1CNc1nc(N)nc(-n2cccn2)n1
InChIInChI=1S/C12H18N8/c1-19-6-2-4-9(19)8-14-11-16-10(13)17-12(18-11)20-7-3-5-15-20/h3,5,7,9H,2,4,6,8H2,1H3,(H3,13,14,16,17,18)
InChIKeyRJBKNTVTXVFHDK-UHFFFAOYSA-N
XLogP0.15
TPSA97.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(1-methylpyrrolidin-2-yl)methyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[(1-methylpyrrolidin-2-yl)methyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine (CID 106029137) is 2-N-[(1-methylpyrrolidin-2-yl)methyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[(1-methylpyrrolidin-2-yl)methyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[(1-methylpyrrolidin-2-yl)methyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine is CN1CCCC1CNc1nc(N)nc(-n2cccn2)n1.
What is the InChIKey of 2-N-[(1-methylpyrrolidin-2-yl)methyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is RJBKNTVTXVFHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N8/c1-19-6-2-4-9(19)8-14-11-16-10(13)17-12(18-11)20-7-3-5-15-20/h3,5,7,9H,2,4,6,8H2,1H3,(H3,13,14,16,17,18).
What are the key properties of 2-N-[(1-methylpyrrolidin-2-yl)methyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
2-N-[(1-methylpyrrolidin-2-yl)methyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 274.33 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(1-methylpyrrolidin-2-yl)methyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 106029137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).