3-chloro-N-pentan-3-yl-1,2,4-triazin-5-amine

C8H13ClN4 — CID 114999367

IUPAC3-chloro-N-pentan-3-yl-1,2,4-triazin-5-amine
SMILESCCC(CC)Nc1cnnc(Cl)n1
InChIInChI=1S/C8H13ClN4/c1-3-6(4-2)11-7-5-10-13-8(9)12-7/h5-6H,3-4H2,1-2H3,(H,11,12,13)
InChIKeyOHBNFBPHSUCCBT-UHFFFAOYSA-N
MW200.67 g/mol
LogP2.13
Rot. Bonds4

About 3-chloro-N-pentan-3-yl-1,2,4-triazin-5-amine

3-chloro-N-pentan-3-yl-1,2,4-triazin-5-amine (PubChem CID 114999367) has the molecular formula C8H13ClN4 and a molecular weight of 200.67 g/mol. Its IUPAC name is 3-chloro-N-pentan-3-yl-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3-chloro-N-pentan-3-yl-1,2,4-triazin-5-amine
PubChem CID114999367
Molecular FormulaC8H13ClN4
Molecular Weight200.67 g/mol
Exact Mass200.08
IUPAC Name3-chloro-N-pentan-3-yl-1,2,4-triazin-5-amine
SMILESCCC(CC)Nc1cnnc(Cl)n1
InChIInChI=1S/C8H13ClN4/c1-3-6(4-2)11-7-5-10-13-8(9)12-7/h5-6H,3-4H2,1-2H3,(H,11,12,13)
InChIKeyOHBNFBPHSUCCBT-UHFFFAOYSA-N
XLogP2.13
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-chloro-1,2,4-triazin-5-yl)amino]propan-2-ol
CID 82237449
2-chloro-4-N-pentan-3-ylpyrimidine-4,6-diamine
CID 87084099
3-chloro-N-pentyl-1,2,4-triazin-5-amine
CID 114999369
methyl 2-[(3-chloro-1,2,4-triazin-5-yl)amino]-3-methylbutanoate
CID 114999989
3-chloro-N-[1-(oxolan-2-yl)ethyl]-1,2,4-triazin-5-amine
CID 82237452
2-chloro-N-pentan-3-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562202
3-chloro-N-(1-imidazol-1-ylpropan-2-yl)-1,2,4-triazin-5-amine
CID 82239276
(2R)-2-[(3-chloro-1,2,4-triazin-5-yl)amino]-6,6,6-trifluorohexan-3-one
CID 161454950
3-chloro-N-(4-propylphenyl)-1,2,4-triazin-5-amine
CID 55053308
3-chloro-N-(3-methoxypropyl)-1,2,4-triazin-5-amine
CID 114999418
methyl 2-[(3-chloro-1,2,4-triazin-5-yl)amino]acetate
CID 114999415
2-[(2-chloropyrimidin-4-yl)amino]butan-1-ol
CID 60726838

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-pentan-3-yl-1,2,4-triazin-5-amine?
The IUPAC name of 3-chloro-N-pentan-3-yl-1,2,4-triazin-5-amine (CID 114999367) is 3-chloro-N-pentan-3-yl-1,2,4-triazin-5-amine.
What is the SMILES notation for 3-chloro-N-pentan-3-yl-1,2,4-triazin-5-amine?
The canonical SMILES for 3-chloro-N-pentan-3-yl-1,2,4-triazin-5-amine is CCC(CC)Nc1cnnc(Cl)n1.
What is the InChIKey of 3-chloro-N-pentan-3-yl-1,2,4-triazin-5-amine?
The InChIKey is OHBNFBPHSUCCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN4/c1-3-6(4-2)11-7-5-10-13-8(9)12-7/h5-6H,3-4H2,1-2H3,(H,11,12,13).
What are the key properties of 3-chloro-N-pentan-3-yl-1,2,4-triazin-5-amine?
3-chloro-N-pentan-3-yl-1,2,4-triazin-5-amine has a molecular weight of 200.67 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-pentan-3-yl-1,2,4-triazin-5-amine is sourced from PubChem (CID 114999367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).