3-[[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol

C9H14N8O — CID 80841727

IUPAC3-[[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
SMILESCC(CO)CNc1nc(N)nc(-n2cncn2)n1
InChIInChI=1S/C9H14N8O/c1-6(3-18)2-12-8-14-7(10)15-9(16-8)17-5-11-4-13-17/h4-6,18H,2-3H2,1H3,(H3,10,12,14,15,16)
InChIKeyCOSPEKDOOBXFMJ-UHFFFAOYSA-N
MW250.27 g/mol
LogP-0.93
Rot. Bonds5

About 3-[[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol

3-[[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol (PubChem CID 80841727) has the molecular formula C9H14N8O and a molecular weight of 250.27 g/mol. Its IUPAC name is 3-[[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
PubChem CID80841727
Molecular FormulaC9H14N8O
Molecular Weight250.27 g/mol
Exact Mass250.13
IUPAC Name3-[[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
SMILESCC(CO)CNc1nc(N)nc(-n2cncn2)n1
InChIInChI=1S/C9H14N8O/c1-6(3-18)2-12-8-14-7(10)15-9(16-8)17-5-11-4-13-17/h4-6,18H,2-3H2,1H3,(H3,10,12,14,15,16)
InChIKeyCOSPEKDOOBXFMJ-UHFFFAOYSA-N
XLogP-0.93
TPSA127.66 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 5-0.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 3-[[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

2-N-(3-methoxy-2-methylpropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80816652
1-[[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-3-methoxypropan-2-ol
CID 80835940
2-N-propan-2-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80766436
4-hydrazinyl-N-(2-methylbutyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80919626
3-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-2-methylpropan-1-ol
CID 80841852
2-N-(4-methylpentan-2-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80784608
2-N-[2-(dimethylamino)-2-methylpropyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80812261
2-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80835736
2-N-benzyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80770243
2-N-[2-[ethyl(methyl)amino]ethyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80832325
3-[[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-N,N-dimethylpropanamide
CID 80814266
2-[[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]ethyl carbamate
CID 83215607

Frequently Asked Questions

What is the IUPAC name of 3-[[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol?
The IUPAC name of 3-[[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol (CID 80841727) is 3-[[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol?
The canonical SMILES for 3-[[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol is CC(CO)CNc1nc(N)nc(-n2cncn2)n1.
What is the InChIKey of 3-[[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol?
The InChIKey is COSPEKDOOBXFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N8O/c1-6(3-18)2-12-8-14-7(10)15-9(16-8)17-5-11-4-13-17/h4-6,18H,2-3H2,1H3,(H3,10,12,14,15,16).
What are the key properties of 3-[[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol?
3-[[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol has a molecular weight of 250.27 g/mol, XLogP of -0.93, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol is sourced from PubChem (CID 80841727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).