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

C13H21N7 — CID 80820815

IUPAC4-N-(2-methylpropyl)-4-N-propan-2-yl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
SMILESCC(C)CN(c1nc(N)nc(-n2cccn2)n1)C(C)C
InChIInChI=1S/C13H21N7/c1-9(2)8-19(10(3)4)12-16-11(14)17-13(18-12)20-7-5-6-15-20/h5-7,9-10H,8H2,1-4H3,(H2,14,16,17,18)
InChIKeyXYLDIZRVBXQKFX-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.51
Rot. Bonds5

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

4-N-(2-methylpropyl)-4-N-propan-2-yl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 80820815) has the molecular formula C13H21N7 and a molecular weight of 275.36 g/mol. Its IUPAC name is 4-N-(2-methylpropyl)-4-N-propan-2-yl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-methylpropyl)-4-N-propan-2-yl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID80820815
Molecular FormulaC13H21N7
Molecular Weight275.36 g/mol
Exact Mass275.19
IUPAC Name4-N-(2-methylpropyl)-4-N-propan-2-yl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
SMILESCC(C)CN(c1nc(N)nc(-n2cccn2)n1)C(C)C
InChIInChI=1S/C13H21N7/c1-9(2)8-19(10(3)4)12-16-11(14)17-13(18-12)20-7-5-6-15-20/h5-7,9-10H,8H2,1-4H3,(H2,14,16,17,18)
InChIKeyXYLDIZRVBXQKFX-UHFFFAOYSA-N
XLogP1.51
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-N-(2-methylpropyl)-4-N-propan-2-yl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

6-imidazol-1-yl-4-N-(2-methylpropyl)-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 80820982
4-N-ethyl-4-N-(1-methoxypropan-2-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80815256
4-N-butan-2-yl-4-N-methyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80775574
2-[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-methylamino]propan-1-ol
CID 104556974
4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 112667910
4-N-(3,3-dimethylbutan-2-yl)-4-N-methyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80815319
4-(4-methylpentan-2-yloxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80860065
3-[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-methylamino]butanenitrile
CID 80827821
2-N,4-N-dimethyl-4-N-(2-methylpropyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80776677
4-butan-2-ylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80887003
2-[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 80778918
4-N-(cyclopropylmethyl)-4-N-propan-2-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80821216

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methylpropyl)-4-N-propan-2-yl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-(2-methylpropyl)-4-N-propan-2-yl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine (CID 80820815) is 4-N-(2-methylpropyl)-4-N-propan-2-yl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-(2-methylpropyl)-4-N-propan-2-yl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-(2-methylpropyl)-4-N-propan-2-yl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine is CC(C)CN(c1nc(N)nc(-n2cccn2)n1)C(C)C.
What is the InChIKey of 4-N-(2-methylpropyl)-4-N-propan-2-yl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is XYLDIZRVBXQKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N7/c1-9(2)8-19(10(3)4)12-16-11(14)17-13(18-12)20-7-5-6-15-20/h5-7,9-10H,8H2,1-4H3,(H2,14,16,17,18).
What are the key properties of 4-N-(2-methylpropyl)-4-N-propan-2-yl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
4-N-(2-methylpropyl)-4-N-propan-2-yl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 275.36 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methylpropyl)-4-N-propan-2-yl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80820815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).