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

C10H15N7O — CID 80784918

IUPAC2-N-(1-methoxypropan-2-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
SMILESCOCC(C)Nc1nc(N)nc(-n2cccn2)n1
InChIInChI=1S/C10H15N7O/c1-7(6-18-2)13-9-14-8(11)15-10(16-9)17-5-3-4-12-17/h3-5,7H,6H2,1-2H3,(H3,11,13,14,15,16)
InChIKeyDRVXXMZOFYBXMA-UHFFFAOYSA-N
MW249.28 g/mol
LogP0.09
Rot. Bonds5

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

2-N-(1-methoxypropan-2-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 80784918) has the molecular formula C10H15N7O and a molecular weight of 249.28 g/mol. Its IUPAC name is 2-N-(1-methoxypropan-2-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(1-methoxypropan-2-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID80784918
Molecular FormulaC10H15N7O
Molecular Weight249.28 g/mol
Exact Mass249.13
IUPAC Name2-N-(1-methoxypropan-2-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
SMILESCOCC(C)Nc1nc(N)nc(-n2cccn2)n1
InChIInChI=1S/C10H15N7O/c1-7(6-18-2)13-9-14-8(11)15-10(16-9)17-5-3-4-12-17/h3-5,7H,6H2,1-2H3,(H3,11,13,14,15,16)
InChIKeyDRVXXMZOFYBXMA-UHFFFAOYSA-N
XLogP0.09
TPSA103.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 80778918
2-N-(1-imidazol-1-ylpropan-2-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80782682
6-pyrazol-1-yl-2-N-(2,3,3-trimethylbutyl)-1,3,5-triazine-2,4-diamine
CID 83146536
4-N-ethyl-4-N-(1-methoxypropan-2-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80815256
6-pyrazol-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
CID 80786209
4-hydrazinyl-N-(1-methylsulfonylpropan-2-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80910646
2-[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-N-propan-2-ylacetamide
CID 80792547
6-pyrazol-1-yl-2-N-[1-(1,3-thiazol-2-yl)propyl]-1,3,5-triazine-2,4-diamine
CID 80824466
2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 80779408
4-(3-methoxypropoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80865388
4-(2-methoxyethylsulfanyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80883957
2-N-[2-(dimethylamino)ethyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80770186

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-methoxypropan-2-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(1-methoxypropan-2-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine (CID 80784918) is 2-N-(1-methoxypropan-2-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(1-methoxypropan-2-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(1-methoxypropan-2-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine is COCC(C)Nc1nc(N)nc(-n2cccn2)n1.
What is the InChIKey of 2-N-(1-methoxypropan-2-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is DRVXXMZOFYBXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N7O/c1-7(6-18-2)13-9-14-8(11)15-10(16-9)17-5-3-4-12-17/h3-5,7H,6H2,1-2H3,(H3,11,13,14,15,16).
What are the key properties of 2-N-(1-methoxypropan-2-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
2-N-(1-methoxypropan-2-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 249.28 g/mol, XLogP of 0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-methoxypropan-2-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80784918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).