6-chloro-5-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]-1,2,4-triazin-3-amine

C9H14ClN5 — CID 176918022

IUPAC6-chloro-5-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]-1,2,4-triazin-3-amine
SMILESCc1nc(N[C@@H]2CCN(C)C2)nnc1Cl
InChIInChI=1S/C9H14ClN5/c1-6-8(10)13-14-9(11-6)12-7-3-4-15(2)5-7/h7H,3-5H2,1-2H3,(H,11,12,14)/t7-/m1/s1
InChIKeyGRBJKVDWVUAFLD-SSDOTTSWSA-N
MW227.70 g/mol
LogP0.95
Rot. Bonds2

About 6-chloro-5-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]-1,2,4-triazin-3-amine

6-chloro-5-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]-1,2,4-triazin-3-amine (PubChem CID 176918022) has the molecular formula C9H14ClN5 and a molecular weight of 227.70 g/mol. Its IUPAC name is 6-chloro-5-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name6-chloro-5-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]-1,2,4-triazin-3-amine
PubChem CID176918022
Molecular FormulaC9H14ClN5
Molecular Weight227.70 g/mol
Exact Mass227.09
IUPAC Name6-chloro-5-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]-1,2,4-triazin-3-amine
SMILESCc1nc(N[C@@H]2CCN(C)C2)nnc1Cl
InChIInChI=1S/C9H14ClN5/c1-6-8(10)13-14-9(11-6)12-7-3-4-15(2)5-7/h7H,3-5H2,1-2H3,(H,11,12,14)/t7-/m1/s1
InChIKeyGRBJKVDWVUAFLD-SSDOTTSWSA-N
XLogP0.95
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.70
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-(5-fluoro-1-methylpiperidin-3-yl)-5-methyl-1,2,4-triazin-3-amine
CID 166152988
N-(1-tert-butylpiperidin-3-yl)-6-chloro-5-methyl-1,2,4-triazin-3-amine
CID 166152965
methyl 3-[(3R)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]piperidin-1-yl]propanoate
CID 171787610
(3S,5R)-5-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]piperidin-3-ol
CID 166153016
3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-1-methylcyclobutan-1-ol
CID 166152999
3,6-dichloro-N-(1-methylpiperidin-3-yl)-1,2,4-triazin-5-amine
CID 81035335
trans-(1R,3R)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclopentane-1-carbonitrile
CID 171763552
N-(1-methylpyrrolidin-3-yl)pyrimidin-2-amine
CID 61464985
ethane;5-methyl-N-(1-methylpyrrolidin-3-yl)pyrimidin-2-amine
CID 143709690
6-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]spiro[3.3]heptan-2-ol
CID 171763533
(3S,4S)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-1-ethylpiperidin-4-ol
CID 176918028
2-chloro-6-methyl-N-(1-methylpyrrolidin-3-yl)pyrimidin-4-amine
CID 62481987

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]-1,2,4-triazin-3-amine?
The IUPAC name of 6-chloro-5-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]-1,2,4-triazin-3-amine (CID 176918022) is 6-chloro-5-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]-1,2,4-triazin-3-amine.
What is the SMILES notation for 6-chloro-5-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]-1,2,4-triazin-3-amine?
The canonical SMILES for 6-chloro-5-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]-1,2,4-triazin-3-amine is Cc1nc(N[C@@H]2CCN(C)C2)nnc1Cl.
What is the InChIKey of 6-chloro-5-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]-1,2,4-triazin-3-amine?
The InChIKey is GRBJKVDWVUAFLD-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H14ClN5/c1-6-8(10)13-14-9(11-6)12-7-3-4-15(2)5-7/h7H,3-5H2,1-2H3,(H,11,12,14)/t7-/m1/s1.
What are the key properties of 6-chloro-5-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]-1,2,4-triazin-3-amine?
6-chloro-5-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]-1,2,4-triazin-3-amine has a molecular weight of 227.70 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]-1,2,4-triazin-3-amine is sourced from PubChem (CID 176918022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).