2-N-(1-cyclopropylethyl)-6-(4-methylpyrazol-1-yl)-1,3,5-triazine-2,4-diamine

C12H17N7 — CID 155016973

IUPAC2-N-(1-cyclopropylethyl)-6-(4-methylpyrazol-1-yl)-1,3,5-triazine-2,4-diamine
SMILESCc1cnn(-c2nc(N)nc(NC(C)C3CC3)n2)c1
InChIInChI=1S/C12H17N7/c1-7-5-14-19(6-7)12-17-10(13)16-11(18-12)15-8(2)9-3-4-9/h5-6,8-9H,3-4H2,1-2H3,(H3,13,15,16,17,18)
InChIKeyUFMBCOMWXRJHPP-UHFFFAOYSA-N
MW259.32 g/mol
LogP1.16
Rot. Bonds4

About 2-N-(1-cyclopropylethyl)-6-(4-methylpyrazol-1-yl)-1,3,5-triazine-2,4-diamine

2-N-(1-cyclopropylethyl)-6-(4-methylpyrazol-1-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 155016973) has the molecular formula C12H17N7 and a molecular weight of 259.32 g/mol. Its IUPAC name is 2-N-(1-cyclopropylethyl)-6-(4-methylpyrazol-1-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(1-cyclopropylethyl)-6-(4-methylpyrazol-1-yl)-1,3,5-triazine-2,4-diamine
PubChem CID155016973
Molecular FormulaC12H17N7
Molecular Weight259.32 g/mol
Exact Mass259.15
IUPAC Name2-N-(1-cyclopropylethyl)-6-(4-methylpyrazol-1-yl)-1,3,5-triazine-2,4-diamine
SMILESCc1cnn(-c2nc(N)nc(NC(C)C3CC3)n2)c1
InChIInChI=1S/C12H17N7/c1-7-5-14-19(6-7)12-17-10(13)16-11(18-12)15-8(2)9-3-4-9/h5-6,8-9H,3-4H2,1-2H3,(H3,13,15,16,17,18)
InChIKeyUFMBCOMWXRJHPP-UHFFFAOYSA-N
XLogP1.16
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-(1-cyclopropylethyl)-6-(4-methylpyrazol-1-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(1-cyclopropylethyl)-6-(4-methylpyrazol-1-yl)-1,3,5-triazine-2,4-diamine (CID 155016973) is 2-N-(1-cyclopropylethyl)-6-(4-methylpyrazol-1-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(1-cyclopropylethyl)-6-(4-methylpyrazol-1-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(1-cyclopropylethyl)-6-(4-methylpyrazol-1-yl)-1,3,5-triazine-2,4-diamine is Cc1cnn(-c2nc(N)nc(NC(C)C3CC3)n2)c1.
What is the InChIKey of 2-N-(1-cyclopropylethyl)-6-(4-methylpyrazol-1-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is UFMBCOMWXRJHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N7/c1-7-5-14-19(6-7)12-17-10(13)16-11(18-12)15-8(2)9-3-4-9/h5-6,8-9H,3-4H2,1-2H3,(H3,13,15,16,17,18).
What are the key properties of 2-N-(1-cyclopropylethyl)-6-(4-methylpyrazol-1-yl)-1,3,5-triazine-2,4-diamine?
2-N-(1-cyclopropylethyl)-6-(4-methylpyrazol-1-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 259.32 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-cyclopropylethyl)-6-(4-methylpyrazol-1-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 155016973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).