N-[(2S)-1-methoxypropan-2-yl]-3-methyltriazolo[4,5-d]pyrimidin-7-amine

C9H14N6O — CID 7688219

IUPACN-[(2S)-1-methoxypropan-2-yl]-3-methyltriazolo[4,5-d]pyrimidin-7-amine
SMILESCOC[C@H](C)Nc1ncnc2c1nnn2C
InChIInChI=1S/C9H14N6O/c1-6(4-16-3)12-8-7-9(11-5-10-8)15(2)14-13-7/h5-6H,4H2,1-3H3,(H,10,11,12)/t6-/m0/s1
InChIKeyRWJALLVERZYLRP-LURJTMIESA-N
MW222.25 g/mol
LogP0.21
Rot. Bonds4

About N-[(2S)-1-methoxypropan-2-yl]-3-methyltriazolo[4,5-d]pyrimidin-7-amine

N-[(2S)-1-methoxypropan-2-yl]-3-methyltriazolo[4,5-d]pyrimidin-7-amine (PubChem CID 7688219) has the molecular formula C9H14N6O and a molecular weight of 222.25 g/mol. Its IUPAC name is N-[(2S)-1-methoxypropan-2-yl]-3-methyltriazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[(2S)-1-methoxypropan-2-yl]-3-methyltriazolo[4,5-d]pyrimidin-7-amine
PubChem CID7688219
Molecular FormulaC9H14N6O
Molecular Weight222.25 g/mol
Exact Mass222.12
IUPAC NameN-[(2S)-1-methoxypropan-2-yl]-3-methyltriazolo[4,5-d]pyrimidin-7-amine
SMILESCOC[C@H](C)Nc1ncnc2c1nnn2C
InChIInChI=1S/C9H14N6O/c1-6(4-16-3)12-8-7-9(11-5-10-8)15(2)14-13-7/h5-6H,4H2,1-3H3,(H,10,11,12)/t6-/m0/s1
InChIKeyRWJALLVERZYLRP-LURJTMIESA-N
XLogP0.21
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-N-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)propane-1,2-diamine
CID 83833760
4-N,6-N-bis(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine
CID 19154117
N-pentan-3-yl-3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine
CID 138052887
N-(2-ethoxyphenyl)-3-methyltriazolo[4,5-d]pyrimidin-7-amine
CID 7659050
3-methyl-N-(pyridin-4-ylmethyl)triazolo[4,5-d]pyrimidin-7-amine
CID 40532076
3-methyl-N-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine
CID 7584273
N-[(3-methoxyphenyl)methyl]-3-methyltriazolo[4,5-d]pyrimidin-7-amine
CID 7424163
4-N-(1-methoxypropan-2-yl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine
CID 19144412
N-[2-[(3-methyltriazolo[4,5-d]pyrimidin-7-yl)amino]ethyl]acetamide
CID 7584287
N-[(2S)-1-methoxypropan-2-yl]-7H-purin-6-amine
CID 40514758
N-(2-chlorophenyl)-3-methyltriazolo[4,5-d]pyrimidin-7-amine
CID 7688242
4-N-(1-methoxypropan-2-yl)-6-N-propylpyrimidine-4,5,6-triamine
CID 19135526

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-methoxypropan-2-yl]-3-methyltriazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of N-[(2S)-1-methoxypropan-2-yl]-3-methyltriazolo[4,5-d]pyrimidin-7-amine (CID 7688219) is N-[(2S)-1-methoxypropan-2-yl]-3-methyltriazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for N-[(2S)-1-methoxypropan-2-yl]-3-methyltriazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for N-[(2S)-1-methoxypropan-2-yl]-3-methyltriazolo[4,5-d]pyrimidin-7-amine is COC[C@H](C)Nc1ncnc2c1nnn2C.
What is the InChIKey of N-[(2S)-1-methoxypropan-2-yl]-3-methyltriazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is RWJALLVERZYLRP-LURJTMIESA-N. The full InChI is InChI=1S/C9H14N6O/c1-6(4-16-3)12-8-7-9(11-5-10-8)15(2)14-13-7/h5-6H,4H2,1-3H3,(H,10,11,12)/t6-/m0/s1.
What are the key properties of N-[(2S)-1-methoxypropan-2-yl]-3-methyltriazolo[4,5-d]pyrimidin-7-amine?
N-[(2S)-1-methoxypropan-2-yl]-3-methyltriazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 222.25 g/mol, XLogP of 0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-methoxypropan-2-yl]-3-methyltriazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 7688219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).