6-chloro-3-N-(3-methylbutan-2-yl)-1,2,4-triazine-3,5-diamine

C8H14ClN5 — CID 130617357

IUPAC6-chloro-3-N-(3-methylbutan-2-yl)-1,2,4-triazine-3,5-diamine
SMILESCC(C)C(C)Nc1nnc(Cl)c(N)n1
InChIInChI=1S/C8H14ClN5/c1-4(2)5(3)11-8-12-7(10)6(9)13-14-8/h4-5H,1-3H3,(H3,10,11,12,14)
InChIKeyQEBVCHMJOMJDOU-UHFFFAOYSA-N
MW215.69 g/mol
LogP1.56
Rot. Bonds3

About 6-chloro-3-N-(3-methylbutan-2-yl)-1,2,4-triazine-3,5-diamine

6-chloro-3-N-(3-methylbutan-2-yl)-1,2,4-triazine-3,5-diamine (PubChem CID 130617357) has the molecular formula C8H14ClN5 and a molecular weight of 215.69 g/mol. Its IUPAC name is 6-chloro-3-N-(3-methylbutan-2-yl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name6-chloro-3-N-(3-methylbutan-2-yl)-1,2,4-triazine-3,5-diamine
PubChem CID130617357
Molecular FormulaC8H14ClN5
Molecular Weight215.69 g/mol
Exact Mass215.09
IUPAC Name6-chloro-3-N-(3-methylbutan-2-yl)-1,2,4-triazine-3,5-diamine
SMILESCC(C)C(C)Nc1nnc(Cl)c(N)n1
InChIInChI=1S/C8H14ClN5/c1-4(2)5(3)11-8-12-7(10)6(9)13-14-8/h4-5H,1-3H3,(H3,10,11,12,14)
InChIKeyQEBVCHMJOMJDOU-UHFFFAOYSA-N
XLogP1.56
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.69
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-chloro-3-N-(3-methylbutan-2-yl)-1,2,4-triazine-3,5-diamine 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

N-(3-methylbutan-2-yl)-1,2,4-benzotriazin-3-amine
CID 103204067
3,5-dichloro-6-N-(3-methylbutan-2-yl)pyridine-2,6-diamine
CID 102754467
6-chloro-2-N-propan-2-ylpyrimidine-2,4,5-triamine
CID 57482779
3-N-benzyl-6-chloro-1,2,4-triazine-3,5-diamine
CID 130708825
4-chloro-6-methyl-N-(3-methylbutan-2-yl)pyrimidin-2-amine
CID 130009210
3-N-[1,3-bis(2-methoxyethoxy)-2-methylpropan-2-yl]-6-chloro-1,2,4-triazine-3,5-diamine
CID 118166070
4-amino-6-chloro-2-(propan-2-ylamino)pyrimidine-5-carbonitrile
CID 20510226
6-chloro-5-methyl-N-(3-methylbutan-2-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80973311
2-chloro-N-(3-methylbutan-2-yl)pyrimidin-4-amine
CID 62338504
2-chloro-N-[(2R)-3-methylbutan-2-yl]pyrimidin-4-amine
CID 94405665
4-ethoxy-6-hydrazinyl-N-(3-methylbutan-2-yl)-1,3,5-triazin-2-amine
CID 80917208
3-N-(3-methylbutan-2-yl)pyridine-2,3-diamine
CID 104539778

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-N-(3-methylbutan-2-yl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 6-chloro-3-N-(3-methylbutan-2-yl)-1,2,4-triazine-3,5-diamine (CID 130617357) is 6-chloro-3-N-(3-methylbutan-2-yl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 6-chloro-3-N-(3-methylbutan-2-yl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 6-chloro-3-N-(3-methylbutan-2-yl)-1,2,4-triazine-3,5-diamine is CC(C)C(C)Nc1nnc(Cl)c(N)n1.
What is the InChIKey of 6-chloro-3-N-(3-methylbutan-2-yl)-1,2,4-triazine-3,5-diamine?
The InChIKey is QEBVCHMJOMJDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClN5/c1-4(2)5(3)11-8-12-7(10)6(9)13-14-8/h4-5H,1-3H3,(H3,10,11,12,14).
What are the key properties of 6-chloro-3-N-(3-methylbutan-2-yl)-1,2,4-triazine-3,5-diamine?
6-chloro-3-N-(3-methylbutan-2-yl)-1,2,4-triazine-3,5-diamine has a molecular weight of 215.69 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-N-(3-methylbutan-2-yl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 130617357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).