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

C7H12ClN5O — CID 118166040

IUPAC2-[(5-amino-6-chloro-1,2,4-triazin-3-yl)amino]-2-methylpropan-1-ol
SMILESCC(C)(CO)Nc1nnc(Cl)c(N)n1
InChIInChI=1S/C7H12ClN5O/c1-7(2,3-14)11-6-10-5(9)4(8)12-13-6/h14H,3H2,1-2H3,(H3,9,10,11,13)
InChIKeyAOUDMKQAVYBSAZ-UHFFFAOYSA-N
MW217.66 g/mol
LogP0.29
Rot. Bonds3

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

2-[(5-amino-6-chloro-1,2,4-triazin-3-yl)amino]-2-methylpropan-1-ol (PubChem CID 118166040) has the molecular formula C7H12ClN5O and a molecular weight of 217.66 g/mol. Its IUPAC name is 2-[(5-amino-6-chloro-1,2,4-triazin-3-yl)amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[(5-amino-6-chloro-1,2,4-triazin-3-yl)amino]-2-methylpropan-1-ol
PubChem CID118166040
Molecular FormulaC7H12ClN5O
Molecular Weight217.66 g/mol
Exact Mass217.07
IUPAC Name2-[(5-amino-6-chloro-1,2,4-triazin-3-yl)amino]-2-methylpropan-1-ol
SMILESCC(C)(CO)Nc1nnc(Cl)c(N)n1
InChIInChI=1S/C7H12ClN5O/c1-7(2,3-14)11-6-10-5(9)4(8)12-13-6/h14H,3H2,1-2H3,(H3,9,10,11,13)
InChIKeyAOUDMKQAVYBSAZ-UHFFFAOYSA-N
XLogP0.29
TPSA96.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.66
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-3-N-[1-(difluoromethoxy)-2-methylpropan-2-yl]-1,2,4-triazine-3,5-diamine
CID 118165981
2-[(3,6-Dichloro-1,2,4-triazin-5-yl)amino]ethanol
CID 81037352
2-[(5-Amino-6-chloro-1,2,4-triazin-3-yl)amino]-2-methylpropane-1,3-diol
CID 118165995
2-[(5-Amino-6-chloro-1,2,4-triazin-3-yl)amino]-3-(2-methoxyethoxy)-2-methylpropan-1-ol
CID 118166048
3-N-[1,3-bis(2-methoxyethoxy)-2-methylpropan-2-yl]-6-chloro-1,2,4-triazine-3,5-diamine
CID 118166070
2-[2-[(5-Amino-6-chloro-1,2,4-triazin-3-yl)amino]-2-methylpropoxy]ethanol
CID 118166083
2-[(5-Amino-6-chloro-1,2,4-triazin-3-yl)amino]propane-1,3-diol
CID 118166128
2-[(5-Amino-6-chloro-1,2,4-triazin-3-yl)amino]propan-1-ol
CID 118166223
6-chloro-3-N-[1-(2-methoxyethoxy)-2-methylpropan-2-yl]-1,2,4-triazine-3,5-diamine
CID 118166228
2-[(5-Amino-6-chloro-1,2,4-triazin-3-yl)-methylamino]ethanol
CID 118166235
1-[2-[(5-Amino-6-chloro-1,2,4-triazin-3-yl)amino]-2-methylpropoxy]-3-methoxypropan-2-ol
CID 118166334
(2R)-1-[2-[(5-amino-6-chloro-1,2,4-triazin-3-yl)amino]-2-methylpropoxy]-3-methoxypropan-2-ol
CID 118189822

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-6-chloro-1,2,4-triazin-3-yl)amino]-2-methylpropan-1-ol?
The IUPAC name of 2-[(5-amino-6-chloro-1,2,4-triazin-3-yl)amino]-2-methylpropan-1-ol (CID 118166040) is 2-[(5-amino-6-chloro-1,2,4-triazin-3-yl)amino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[(5-amino-6-chloro-1,2,4-triazin-3-yl)amino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[(5-amino-6-chloro-1,2,4-triazin-3-yl)amino]-2-methylpropan-1-ol is CC(C)(CO)Nc1nnc(Cl)c(N)n1.
What is the InChIKey of 2-[(5-amino-6-chloro-1,2,4-triazin-3-yl)amino]-2-methylpropan-1-ol?
The InChIKey is AOUDMKQAVYBSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClN5O/c1-7(2,3-14)11-6-10-5(9)4(8)12-13-6/h14H,3H2,1-2H3,(H3,9,10,11,13).
What are the key properties of 2-[(5-amino-6-chloro-1,2,4-triazin-3-yl)amino]-2-methylpropan-1-ol?
2-[(5-amino-6-chloro-1,2,4-triazin-3-yl)amino]-2-methylpropan-1-ol has a molecular weight of 217.66 g/mol, XLogP of 0.29, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-6-chloro-1,2,4-triazin-3-yl)amino]-2-methylpropan-1-ol is sourced from PubChem (CID 118166040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).