3-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butan-1-ol

C10H14ClN5O — CID 103076867

IUPAC3-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butan-1-ol
SMILESCc1c(Cl)nc2ncnn2c1NC(C)CCO
InChIInChI=1S/C10H14ClN5O/c1-6(3-4-17)14-9-7(2)8(11)15-10-12-5-13-16(9)10/h5-6,14,17H,3-4H2,1-2H3
InChIKeyNONXYNHKSQZGAX-UHFFFAOYSA-N
MW255.71 g/mol
LogP1.27
Rot. Bonds4

About 3-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butan-1-ol

3-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butan-1-ol (PubChem CID 103076867) has the molecular formula C10H14ClN5O and a molecular weight of 255.71 g/mol. Its IUPAC name is 3-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butan-1-ol.

Molecular Properties

Compound Name3-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butan-1-ol
PubChem CID103076867
Molecular FormulaC10H14ClN5O
Molecular Weight255.71 g/mol
Exact Mass255.09
IUPAC Name3-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butan-1-ol
SMILESCc1c(Cl)nc2ncnn2c1NC(C)CCO
InChIInChI=1S/C10H14ClN5O/c1-6(3-4-17)14-9-7(2)8(11)15-10-12-5-13-16(9)10/h5-6,14,17H,3-4H2,1-2H3
InChIKeyNONXYNHKSQZGAX-UHFFFAOYSA-N
XLogP1.27
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.71
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butan-1-ol with MolForge

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Related Compounds

5-chloro-6-methyl-N-(6-methylheptan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076376
3-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-4,4-dimethylpentan-1-ol
CID 106352632
5-chloro-6-methyl-N-(1-pyrazol-1-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076363
5-chloro-6-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 114168058
2-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-propylpropanamide
CID 103076387
5-chloro-N-hex-5-yn-3-yl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 106195677
2-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-ethyl-N-methylpropanamide
CID 103112984
1-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentan-3-ol
CID 103076946
2-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-ethylbutan-1-ol
CID 103076571
5-chloro-6-methyl-N-(3-methylbut-2-enyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 106197254
2-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-(2-methoxyethyl)propanamide
CID 103076893
N-butan-2-yl-5-chloro-6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 87827871

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butan-1-ol?
The IUPAC name of 3-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butan-1-ol (CID 103076867) is 3-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butan-1-ol.
What is the SMILES notation for 3-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butan-1-ol?
The canonical SMILES for 3-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butan-1-ol is Cc1c(Cl)nc2ncnn2c1NC(C)CCO.
What is the InChIKey of 3-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butan-1-ol?
The InChIKey is NONXYNHKSQZGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN5O/c1-6(3-4-17)14-9-7(2)8(11)15-10-12-5-13-16(9)10/h5-6,14,17H,3-4H2,1-2H3.
What are the key properties of 3-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butan-1-ol?
3-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butan-1-ol has a molecular weight of 255.71 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butan-1-ol is sourced from PubChem (CID 103076867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).