3-[(3-amino-6-chloro-1,2,4-triazin-5-yl)amino]heptan-1-ol

C10H18ClN5O — CID 123847940

IUPAC3-[(3-amino-6-chloro-1,2,4-triazin-5-yl)amino]heptan-1-ol
SMILESCCCCC(CCO)Nc1nc(N)nnc1Cl
InChIInChI=1S/C10H18ClN5O/c1-2-3-4-7(5-6-17)13-9-8(11)15-16-10(12)14-9/h7,17H,2-6H2,1H3,(H3,12,13,14,16)
InChIKeyNEANWUUJIMUSNL-UHFFFAOYSA-N
MW259.74 g/mol
LogP1.46
Rot. Bonds7

About 3-[(3-amino-6-chloro-1,2,4-triazin-5-yl)amino]heptan-1-ol

3-[(3-amino-6-chloro-1,2,4-triazin-5-yl)amino]heptan-1-ol (PubChem CID 123847940) has the molecular formula C10H18ClN5O and a molecular weight of 259.74 g/mol. Its IUPAC name is 3-[(3-amino-6-chloro-1,2,4-triazin-5-yl)amino]heptan-1-ol.

Molecular Properties

Compound Name3-[(3-amino-6-chloro-1,2,4-triazin-5-yl)amino]heptan-1-ol
PubChem CID123847940
Molecular FormulaC10H18ClN5O
Molecular Weight259.74 g/mol
Exact Mass259.12
IUPAC Name3-[(3-amino-6-chloro-1,2,4-triazin-5-yl)amino]heptan-1-ol
SMILESCCCCC(CCO)Nc1nc(N)nnc1Cl
InChIInChI=1S/C10H18ClN5O/c1-2-3-4-7(5-6-17)13-9-8(11)15-16-10(12)14-9/h7,17H,2-6H2,1H3,(H3,12,13,14,16)
InChIKeyNEANWUUJIMUSNL-UHFFFAOYSA-N
XLogP1.46
TPSA96.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[(3-amino-6-chloro-1,2,4-triazin-5-yl)amino]heptan-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

(3R)-3-[[2-amino-5-(2-propan-2-yloxyethoxy)pyrimidin-4-yl]amino]heptan-1-ol
CID 130353425
(3S)-3-[[2-amino-5-[(2,5-dimethylpyrazol-3-yl)methoxy]pyrimidin-4-yl]amino]heptan-1-ol
CID 70856096
3,6-dichloro-N-hexan-2-yl-1,2,4-triazin-5-amine
CID 81037998
tert-butyl N-[3-[2-amino-4-(1-hydroxyheptan-3-ylamino)-6-methylpyrimidin-5-yl]propyl]carbamate
CID 90950205
3-[(2-amino-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]hexan-1-ol
CID 137381354
(3S)-3-[[2-amino-5-(quinolin-2-ylmethoxy)pyrimidin-4-yl]amino]heptan-1-ol;sulfane
CID 157247821
3-[[2-amino-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]heptan-1-ol
CID 123857210
(2S)-2-[(2-amino-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol
CID 129103735
3-[[2-amino-5-[(1-methylindazol-3-yl)methoxy]pyrimidin-4-yl]amino]heptan-1-ol
CID 123278214
2-[[2-amino-4-(1-hydroxyheptan-3-ylamino)pyrimidin-5-yl]oxymethyl]-3,5-dimethyl-1H-pyridin-4-one
CID 123296948
3-(methylamino)heptan-1-ol
CID 13033821
(3S)-3-[[2-amino-6-ethyl-5-[(2-methoxyphenyl)methyl]pyrimidin-4-yl]amino]heptan-1-ol;carbon dioxide
CID 158368641

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-6-chloro-1,2,4-triazin-5-yl)amino]heptan-1-ol?
The IUPAC name of 3-[(3-amino-6-chloro-1,2,4-triazin-5-yl)amino]heptan-1-ol (CID 123847940) is 3-[(3-amino-6-chloro-1,2,4-triazin-5-yl)amino]heptan-1-ol.
What is the SMILES notation for 3-[(3-amino-6-chloro-1,2,4-triazin-5-yl)amino]heptan-1-ol?
The canonical SMILES for 3-[(3-amino-6-chloro-1,2,4-triazin-5-yl)amino]heptan-1-ol is CCCCC(CCO)Nc1nc(N)nnc1Cl.
What is the InChIKey of 3-[(3-amino-6-chloro-1,2,4-triazin-5-yl)amino]heptan-1-ol?
The InChIKey is NEANWUUJIMUSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN5O/c1-2-3-4-7(5-6-17)13-9-8(11)15-16-10(12)14-9/h7,17H,2-6H2,1H3,(H3,12,13,14,16).
What are the key properties of 3-[(3-amino-6-chloro-1,2,4-triazin-5-yl)amino]heptan-1-ol?
3-[(3-amino-6-chloro-1,2,4-triazin-5-yl)amino]heptan-1-ol has a molecular weight of 259.74 g/mol, XLogP of 1.46, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-6-chloro-1,2,4-triazin-5-yl)amino]heptan-1-ol is sourced from PubChem (CID 123847940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).