(2R)-2-[[7-(benzylamino)-3-methyltriazolo[4,5-d]pyrimidin-5-yl]amino]-3-methylbutan-1-ol

C17H23N7O — CID 10405054

IUPAC(2R)-2-[[7-(benzylamino)-3-methyltriazolo[4,5-d]pyrimidin-5-yl]amino]-3-methylbutan-1-ol
SMILESCC(C)[C@H](CO)Nc1nc(NCc2ccccc2)c2nnn(C)c2n1
InChIInChI=1S/C17H23N7O/c1-11(2)13(10-25)19-17-20-15(14-16(21-17)24(3)23-22-14)18-9-12-7-5-4-6-8-12/h4-8,11,13,25H,9-10H2,1-3H3,(H2,18,19,20,21)/t13-/m0/s1
InChIKeyKZJIBMJMKIEURC-ZDUSSCGKSA-N
MW341.42 g/mol
LogP1.80
Rot. Bonds7

About (2R)-2-[[7-(benzylamino)-3-methyltriazolo[4,5-d]pyrimidin-5-yl]amino]-3-methylbutan-1-ol

(2R)-2-[[7-(benzylamino)-3-methyltriazolo[4,5-d]pyrimidin-5-yl]amino]-3-methylbutan-1-ol (PubChem CID 10405054) has the molecular formula C17H23N7O and a molecular weight of 341.42 g/mol. Its IUPAC name is (2R)-2-[[7-(benzylamino)-3-methyltriazolo[4,5-d]pyrimidin-5-yl]amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[7-(benzylamino)-3-methyltriazolo[4,5-d]pyrimidin-5-yl]amino]-3-methylbutan-1-ol
PubChem CID10405054
Molecular FormulaC17H23N7O
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC Name(2R)-2-[[7-(benzylamino)-3-methyltriazolo[4,5-d]pyrimidin-5-yl]amino]-3-methylbutan-1-ol
SMILESCC(C)[C@H](CO)Nc1nc(NCc2ccccc2)c2nnn(C)c2n1
InChIInChI=1S/C17H23N7O/c1-11(2)13(10-25)19-17-20-15(14-16(21-17)24(3)23-22-14)18-9-12-7-5-4-6-8-12/h4-8,11,13,25H,9-10H2,1-3H3,(H2,18,19,20,21)/t13-/m0/s1
InChIKeyKZJIBMJMKIEURC-ZDUSSCGKSA-N
XLogP1.80
TPSA100.78 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (2R)-2-[[7-(benzylamino)-3-methyltriazolo[4,5-d]pyrimidin-5-yl]amino]-3-methylbutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[[7-[(2-aminophenyl)methylamino]-3-propan-2-yltriazolo[4,5-d]pyrimidin-5-yl]amino]-3-methylbutan-1-ol
CID 68646016
[3-[[[5-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-3-propan-2-yltriazolo[4,5-d]pyrimidin-7-yl]amino]methyl]phenyl] acetate
CID 11743275
(2R)-2-[[7-[(3-amino-4-chlorophenyl)methylamino]-3-ethyltriazolo[4,5-d]pyrimidin-5-yl]amino]-3-methylbutan-1-ol
CID 68645047
2-[[7-[(3-amino-4-chlorophenyl)methylamino]-3-ethyltriazolo[4,5-d]pyrimidin-5-yl]amino]-3-methylbutan-1-ol
CID 68645045
2-[[7-(3-amino-4-chloroanilino)-3-methyltriazolo[4,5-d]pyrimidin-5-yl]amino]-3-methylbutan-1-ol
CID 68645619
3-methyl-2-[[6-[(4-methylphenyl)methylamino]-9-propan-2-ylpurin-2-yl]amino]butan-1-ol;sulfane
CID 161351604
2-[[7-[(2-amino-6-chlorophenyl)methylamino]-3-ethyltriazolo[4,5-d]pyrimidin-5-yl]amino]-3-methylbutan-1-ol
CID 68645757
ethane;2-[[9-ethyl-6-[(4-pyridin-2-ylphenyl)methylamino]purin-2-yl]amino]-3-methylbutan-1-ol
CID 143811163
3-[[[3-ethyl-5-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]triazolo[4,5-d]pyrimidin-7-yl]amino]methyl]-6-methoxybenzene-1,2-diol
CID 68645950
2-[[6-[(2-amino-5-iodophenyl)methylamino]-9-benzylpurin-2-yl]amino]-3-methylbutan-1-ol
CID 67002602
2-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]amino]butan-1-ol;ethane
CID 145002763
2-[[7-[(3-amino-4-chlorophenyl)methylamino]-2H-triazolo[4,5-d]pyrimidin-5-yl]amino]-3-methylbutan-1-ol
CID 68645023

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[7-(benzylamino)-3-methyltriazolo[4,5-d]pyrimidin-5-yl]amino]-3-methylbutan-1-ol?
The IUPAC name of (2R)-2-[[7-(benzylamino)-3-methyltriazolo[4,5-d]pyrimidin-5-yl]amino]-3-methylbutan-1-ol (CID 10405054) is (2R)-2-[[7-(benzylamino)-3-methyltriazolo[4,5-d]pyrimidin-5-yl]amino]-3-methylbutan-1-ol.
What is the SMILES notation for (2R)-2-[[7-(benzylamino)-3-methyltriazolo[4,5-d]pyrimidin-5-yl]amino]-3-methylbutan-1-ol?
The canonical SMILES for (2R)-2-[[7-(benzylamino)-3-methyltriazolo[4,5-d]pyrimidin-5-yl]amino]-3-methylbutan-1-ol is CC(C)[C@H](CO)Nc1nc(NCc2ccccc2)c2nnn(C)c2n1.
What is the InChIKey of (2R)-2-[[7-(benzylamino)-3-methyltriazolo[4,5-d]pyrimidin-5-yl]amino]-3-methylbutan-1-ol?
The InChIKey is KZJIBMJMKIEURC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H23N7O/c1-11(2)13(10-25)19-17-20-15(14-16(21-17)24(3)23-22-14)18-9-12-7-5-4-6-8-12/h4-8,11,13,25H,9-10H2,1-3H3,(H2,18,19,20,21)/t13-/m0/s1.
What are the key properties of (2R)-2-[[7-(benzylamino)-3-methyltriazolo[4,5-d]pyrimidin-5-yl]amino]-3-methylbutan-1-ol?
(2R)-2-[[7-(benzylamino)-3-methyltriazolo[4,5-d]pyrimidin-5-yl]amino]-3-methylbutan-1-ol has a molecular weight of 341.42 g/mol, XLogP of 1.80, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[7-(benzylamino)-3-methyltriazolo[4,5-d]pyrimidin-5-yl]amino]-3-methylbutan-1-ol is sourced from PubChem (CID 10405054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).