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

C7H12ClN5O — CID 80779012

IUPAC2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]butan-1-ol
SMILESCCC(CO)Nc1nc(N)nc(Cl)n1
InChIInChI=1S/C7H12ClN5O/c1-2-4(3-14)10-7-12-5(8)11-6(9)13-7/h4,14H,2-3H2,1H3,(H3,9,10,11,12,13)
InChIKeyLJKKVIIADBNOKO-UHFFFAOYSA-N
MW217.66 g/mol
LogP0.29
Rot. Bonds4

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

2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]butan-1-ol (PubChem CID 80779012) has the molecular formula C7H12ClN5O and a molecular weight of 217.66 g/mol. Its IUPAC name is 2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]butan-1-ol.

Molecular Properties

Compound Name2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]butan-1-ol
PubChem CID80779012
Molecular FormulaC7H12ClN5O
Molecular Weight217.66 g/mol
Exact Mass217.07
IUPAC Name2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]butan-1-ol
SMILESCCC(CO)Nc1nc(N)nc(Cl)n1
InChIInChI=1S/C7H12ClN5O/c1-2-4(3-14)10-7-12-5(8)11-6(9)13-7/h4,14H,2-3H2,1H3,(H3,9,10,11,12,13)
InChIKeyLJKKVIIADBNOKO-UHFFFAOYSA-N
XLogP0.29
TPSA96.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.66
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

2-[[4-chloro-6-(1-hydroxybutan-2-ylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol
CID 10708587
6-chloro-2-N-(1-methoxybutan-2-yl)-1,3,5-triazine-2,4-diamine
CID 80837966
2-[[4-chloro-6-(1,3-dihydroxypropan-2-ylamino)-1,3,5-triazin-2-yl]amino]propane-1,3-diol
CID 102396474
2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]propane-1,3-diol
CID 90392503
4,6-dichloro-N-hexan-3-yl-1,3,5-triazin-2-amine
CID 62869584
2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]butan-1-ol
CID 62863509
2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]propane-1,3-diol
CID 80842933
6-chloro-2-N-(1-cyclopropylethyl)-1,3,5-triazine-2,4-diamine
CID 80782289
2-[[4-(1-hydroxybutan-2-ylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol
CID 173320300
2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)amino]propane-1,3-diol
CID 80842284
6-tert-butyl-2-N-pentan-3-yl-1,3,5-triazine-2,4-diamine
CID 112746139
2-[[4-amino-6-(1-hydroxypropan-2-ylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 68938423

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]butan-1-ol?
The IUPAC name of 2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]butan-1-ol (CID 80779012) is 2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]butan-1-ol.
What is the SMILES notation for 2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]butan-1-ol?
The canonical SMILES for 2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]butan-1-ol is CCC(CO)Nc1nc(N)nc(Cl)n1.
What is the InChIKey of 2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]butan-1-ol?
The InChIKey is LJKKVIIADBNOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClN5O/c1-2-4(3-14)10-7-12-5(8)11-6(9)13-7/h4,14H,2-3H2,1H3,(H3,9,10,11,12,13).
What are the key properties of 2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]butan-1-ol?
2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]butan-1-ol has a molecular weight of 217.66 g/mol, XLogP of 0.29, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]butan-1-ol is sourced from PubChem (CID 80779012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).