3-[cyclopropyl-[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]propanenitrile

C13H16N8 — CID 80787361

IUPAC3-[cyclopropyl-[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]propanenitrile
SMILESCNc1nc(N(CCC#N)C2CC2)nc(-n2cccn2)n1
InChIInChI=1S/C13H16N8/c1-15-11-17-12(20(8-2-6-14)10-4-5-10)19-13(18-11)21-9-3-7-16-21/h3,7,9-10H,2,4-5,8H2,1H3,(H,15,17,18,19)
InChIKeyIYXUCBWKZBYGHL-UHFFFAOYSA-N
MW284.33 g/mol
LogP0.98
Rot. Bonds6

About 3-[cyclopropyl-[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]propanenitrile

3-[cyclopropyl-[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]propanenitrile (PubChem CID 80787361) has the molecular formula C13H16N8 and a molecular weight of 284.33 g/mol. Its IUPAC name is 3-[cyclopropyl-[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]propanenitrile.

Molecular Properties

Compound Name3-[cyclopropyl-[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]propanenitrile
PubChem CID80787361
Molecular FormulaC13H16N8
Molecular Weight284.33 g/mol
Exact Mass284.15
IUPAC Name3-[cyclopropyl-[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]propanenitrile
SMILESCNc1nc(N(CCC#N)C2CC2)nc(-n2cccn2)n1
InChIInChI=1S/C13H16N8/c1-15-11-17-12(20(8-2-6-14)10-4-5-10)19-13(18-11)21-9-3-7-16-21/h3,7,9-10H,2,4-5,8H2,1H3,(H,15,17,18,19)
InChIKeyIYXUCBWKZBYGHL-UHFFFAOYSA-N
XLogP0.98
TPSA95.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-N-cyclopentyl-4-N-ethyl-2-N-methyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80775774
2-N,4-N-dimethyl-4-N-[(2-methylcyclopropyl)methyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80838670
4-N-[2-(dimethylamino)ethyl]-2-N,4-N-dimethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80846043
2-N,4-N-dimethyl-4-N-(2-methylpropyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80776677
2-N,4-N-dimethyl-4-N-phenyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80750664
4-N-methyl-2-N-(4-methylcyclohexyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80773650
N,N-dimethyl-2-[methyl-[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]acetamide
CID 80772086
3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-ethylamino]propanenitrile
CID 55124956
3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-cyclobutylamino]propan-1-ol
CID 102865831
4-N-cyclopropyl-2-N-methyl-6-morpholin-4-yl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80771865
4-methyl-1-[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]piperidin-4-ol
CID 81109328
4-N-methyl-2-N-(oxolan-3-ylmethyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80823144

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]propanenitrile?
The IUPAC name of 3-[cyclopropyl-[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]propanenitrile (CID 80787361) is 3-[cyclopropyl-[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]propanenitrile.
What is the SMILES notation for 3-[cyclopropyl-[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]propanenitrile?
The canonical SMILES for 3-[cyclopropyl-[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]propanenitrile is CNc1nc(N(CCC#N)C2CC2)nc(-n2cccn2)n1.
What is the InChIKey of 3-[cyclopropyl-[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]propanenitrile?
The InChIKey is IYXUCBWKZBYGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N8/c1-15-11-17-12(20(8-2-6-14)10-4-5-10)19-13(18-11)21-9-3-7-16-21/h3,7,9-10H,2,4-5,8H2,1H3,(H,15,17,18,19).
What are the key properties of 3-[cyclopropyl-[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]propanenitrile?
3-[cyclopropyl-[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]propanenitrile has a molecular weight of 284.33 g/mol, XLogP of 0.98, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]propanenitrile is sourced from PubChem (CID 80787361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).