1-[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]propan-2-ol

C11H17N7O — CID 80780224

IUPAC1-[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]propan-2-ol
SMILESCCNc1nc(NCC(C)O)nc(-n2cccn2)n1
InChIInChI=1S/C11H17N7O/c1-3-12-9-15-10(13-7-8(2)19)17-11(16-9)18-6-4-5-14-18/h4-6,8,19H,3,7H2,1-2H3,(H2,12,13,15,16,17)
InChIKeyIJTHNIRFARULCE-UHFFFAOYSA-N
MW263.31 g/mol
LogP0.28
Rot. Bonds6

About 1-[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]propan-2-ol

1-[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]propan-2-ol (PubChem CID 80780224) has the molecular formula C11H17N7O and a molecular weight of 263.31 g/mol. Its IUPAC name is 1-[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]propan-2-ol
PubChem CID80780224
Molecular FormulaC11H17N7O
Molecular Weight263.31 g/mol
Exact Mass263.15
IUPAC Name1-[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]propan-2-ol
SMILESCCNc1nc(NCC(C)O)nc(-n2cccn2)n1
InChIInChI=1S/C11H17N7O/c1-3-12-9-15-10(13-7-8(2)19)17-11(16-9)18-6-4-5-14-18/h4-6,8,19H,3,7H2,1-2H3,(H2,12,13,15,16,17)
InChIKeyIJTHNIRFARULCE-UHFFFAOYSA-N
XLogP0.28
TPSA100.78 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 1-[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]propan-2-ol with MolForge

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Related Compounds

2-[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]propanamide
CID 80787468
2-N-butyl-4-N-ethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80785977
5-[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]pentan-1-ol
CID 107324134
3-[[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]methyl]cyclobutan-1-ol
CID 80832734
N-ethyl-4-(3-methylbutan-2-yloxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80882821
2-N-(cyclobutylmethyl)-4-N-ethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80782523
3-[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]-2-methylpropan-1-ol
CID 80890647
2-N-cyclobutyl-4-N-ethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80827140
2-N-(2-cyclopropylethyl)-4-N-ethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80846875
1-N-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 62863808
N-ethyl-4-(4-methylpentan-2-yloxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80844530
2-N-ethyl-4-N-methyl-4-N-(3-methylbutyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80780583

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]propan-2-ol?
The IUPAC name of 1-[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]propan-2-ol (CID 80780224) is 1-[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]propan-2-ol.
What is the SMILES notation for 1-[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]propan-2-ol?
The canonical SMILES for 1-[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]propan-2-ol is CCNc1nc(NCC(C)O)nc(-n2cccn2)n1.
What is the InChIKey of 1-[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]propan-2-ol?
The InChIKey is IJTHNIRFARULCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7O/c1-3-12-9-15-10(13-7-8(2)19)17-11(16-9)18-6-4-5-14-18/h4-6,8,19H,3,7H2,1-2H3,(H2,12,13,15,16,17).
What are the key properties of 1-[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]propan-2-ol?
1-[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]propan-2-ol has a molecular weight of 263.31 g/mol, XLogP of 0.28, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]propan-2-ol is sourced from PubChem (CID 80780224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).