4,6-dichloro-N-(2H-tetrazol-5-ylmethyl)-1,3,5-triazin-2-amine

C5H4Cl2N8 — CID 106194511

IUPAC4,6-dichloro-N-(2H-tetrazol-5-ylmethyl)-1,3,5-triazin-2-amine
SMILESClc1nc(Cl)nc(NCc2nn[nH]n2)n1
InChIInChI=1S/C5H4Cl2N8/c6-3-9-4(7)11-5(10-3)8-1-2-12-14-15-13-2/h1H2,(H,8,9,10,11)(H,12,13,14,15)
InChIKeyICLKXFKTNXAZOZ-UHFFFAOYSA-N
MW247.05 g/mol
LogP0.30
Rot. Bonds3

About 4,6-dichloro-N-(2H-tetrazol-5-ylmethyl)-1,3,5-triazin-2-amine

4,6-dichloro-N-(2H-tetrazol-5-ylmethyl)-1,3,5-triazin-2-amine (PubChem CID 106194511) has the molecular formula C5H4Cl2N8 and a molecular weight of 247.05 g/mol. Its IUPAC name is 4,6-dichloro-N-(2H-tetrazol-5-ylmethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-(2H-tetrazol-5-ylmethyl)-1,3,5-triazin-2-amine
PubChem CID106194511
Molecular FormulaC5H4Cl2N8
Molecular Weight247.05 g/mol
Exact Mass245.99
IUPAC Name4,6-dichloro-N-(2H-tetrazol-5-ylmethyl)-1,3,5-triazin-2-amine
SMILESClc1nc(Cl)nc(NCc2nn[nH]n2)n1
InChIInChI=1S/C5H4Cl2N8/c6-3-9-4(7)11-5(10-3)8-1-2-12-14-15-13-2/h1H2,(H,8,9,10,11)(H,12,13,14,15)
InChIKeyICLKXFKTNXAZOZ-UHFFFAOYSA-N
XLogP0.30
TPSA105.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.05
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-chloro-2-N,2-N-diethyl-4-N-(2H-tetrazol-5-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 106194548
2-chloro-N-(2H-tetrazol-5-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114156673
6-chloro-N-(2H-tetrazol-5-ylmethyl)pyridin-2-amine
CID 106194524
5-methyl-N-(2H-tetrazol-5-ylmethyl)pyrimidin-2-amine
CID 63207979
6-chloro-5-methyl-2-propyl-N-(2H-tetrazol-5-ylmethyl)pyrimidin-4-amine
CID 106194545
N-[(4-chlorophenyl)methyl]-2H-tetrazol-5-amine
CID 961582
1-methyl-N-(2H-tetrazol-5-ylmethyl)-5,6-dihydro-4H-pyrimidin-2-amine
CID 130884716
6-chloro-2-cyclopropyl-5-methyl-N-(2H-tetrazol-5-ylmethyl)pyrimidin-4-amine
CID 106194508
4,6-dichloro-N-[(4-phenylphenyl)methyl]-1,3,5-triazin-2-amine
CID 135338526
4-ethyl-N-(2H-tetrazol-5-ylmethyl)-1,3-thiazol-2-amine
CID 62962458
2-chloro-6-(2H-tetrazol-5-ylmethylamino)benzonitrile
CID 62502767
N-(2H-tetrazol-5-ylmethyl)prop-2-yn-1-amine
CID 63951089

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-(2H-tetrazol-5-ylmethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dichloro-N-(2H-tetrazol-5-ylmethyl)-1,3,5-triazin-2-amine (CID 106194511) is 4,6-dichloro-N-(2H-tetrazol-5-ylmethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dichloro-N-(2H-tetrazol-5-ylmethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dichloro-N-(2H-tetrazol-5-ylmethyl)-1,3,5-triazin-2-amine is Clc1nc(Cl)nc(NCc2nn[nH]n2)n1.
What is the InChIKey of 4,6-dichloro-N-(2H-tetrazol-5-ylmethyl)-1,3,5-triazin-2-amine?
The InChIKey is ICLKXFKTNXAZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4Cl2N8/c6-3-9-4(7)11-5(10-3)8-1-2-12-14-15-13-2/h1H2,(H,8,9,10,11)(H,12,13,14,15).
What are the key properties of 4,6-dichloro-N-(2H-tetrazol-5-ylmethyl)-1,3,5-triazin-2-amine?
4,6-dichloro-N-(2H-tetrazol-5-ylmethyl)-1,3,5-triazin-2-amine has a molecular weight of 247.05 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-(2H-tetrazol-5-ylmethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 106194511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).