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

C7H11ClN4O — CID 171763628

IUPAC(2R)-1-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]propan-2-ol
SMILESCc1nc(NC[C@@H](C)O)nnc1Cl
InChIInChI=1S/C7H11ClN4O/c1-4(13)3-9-7-10-5(2)6(8)11-12-7/h4,13H,3H2,1-2H3,(H,9,10,12)/t4-/m1/s1
InChIKeyCWMUYOOTZAAMNR-SCSAIBSYSA-N
MW202.64 g/mol
LogP0.63
Rot. Bonds3

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

(2R)-1-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]propan-2-ol (PubChem CID 171763628) has the molecular formula C7H11ClN4O and a molecular weight of 202.64 g/mol. Its IUPAC name is (2R)-1-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]propan-2-ol
PubChem CID171763628
Molecular FormulaC7H11ClN4O
Molecular Weight202.64 g/mol
Exact Mass202.06
IUPAC Name(2R)-1-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]propan-2-ol
SMILESCc1nc(NC[C@@H](C)O)nnc1Cl
InChIInChI=1S/C7H11ClN4O/c1-4(13)3-9-7-10-5(2)6(8)11-12-7/h4,13H,3H2,1-2H3,(H,9,10,12)/t4-/m1/s1
InChIKeyCWMUYOOTZAAMNR-SCSAIBSYSA-N
XLogP0.63
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]propan-2-ol?
The IUPAC name of (2R)-1-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]propan-2-ol (CID 171763628) is (2R)-1-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]propan-2-ol.
What is the SMILES notation for (2R)-1-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]propan-2-ol?
The canonical SMILES for (2R)-1-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]propan-2-ol is Cc1nc(NC[C@@H](C)O)nnc1Cl.
What is the InChIKey of (2R)-1-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]propan-2-ol?
The InChIKey is CWMUYOOTZAAMNR-SCSAIBSYSA-N. The full InChI is InChI=1S/C7H11ClN4O/c1-4(13)3-9-7-10-5(2)6(8)11-12-7/h4,13H,3H2,1-2H3,(H,9,10,12)/t4-/m1/s1.
What are the key properties of (2R)-1-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]propan-2-ol?
(2R)-1-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]propan-2-ol has a molecular weight of 202.64 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]propan-2-ol is sourced from PubChem (CID 171763628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).