2-(4,5-dimethyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride

C6H14Cl2N4 — CID 75493607

IUPAC2-(4,5-dimethyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride
SMILESCc1nnc(CCN)n1C.Cl.Cl
InChIInChI=1S/C6H12N4.2ClH/c1-5-8-9-6(3-4-7)10(5)2;;/h3-4,7H2,1-2H3;2*1H
InChIKeyKDRMVPWWBXPEJN-UHFFFAOYSA-N
MW213.11 g/mol
LogP0.47
Rot. Bonds2

About 2-(4,5-dimethyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride

2-(4,5-dimethyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride (PubChem CID 75493607) has the molecular formula C6H14Cl2N4 and a molecular weight of 213.11 g/mol. Its IUPAC name is 2-(4,5-dimethyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride.

Molecular Properties

Compound Name2-(4,5-dimethyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride
PubChem CID75493607
Molecular FormulaC6H14Cl2N4
Molecular Weight213.11 g/mol
Exact Mass212.06
IUPAC Name2-(4,5-dimethyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride
SMILESCc1nnc(CCN)n1C.Cl.Cl
InChIInChI=1S/C6H12N4.2ClH/c1-5-8-9-6(3-4-7)10(5)2;;/h3-4,7H2,1-2H3;2*1H
InChIKeyKDRMVPWWBXPEJN-UHFFFAOYSA-N
XLogP0.47
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.11
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-ethyl-1H-1,2,4-triazol-3-yl)ethan-1-amine hydrochloride
CID 16682443
2-(5-methyl-1H-1,2,4-triazol-3-yl)ethan-1-amine hydrochloride
CID 50988180
(dimethyl-4H-1,2,4-triazol-3-yl)methanamine
CID 43524624
6,7,8,9-Tetrahydro-3-methyl-5H-1,2,4-triazolo(4,3-d)(1,4)diazepine
CID 59006429
1-(4-Isopropyl-4H-1,2,4-triazol-3-yl)ethan-1-amine
CID 16763504
2-(4-Methyl-4H-1,2,4-triazol-3-yl)ethan-1-amine
CID 16767398
3-(3,5-Dimethyl-1H-1,2,4-triazol-1-yl)-1-propanamine
CID 28064826
2-(4-Methyl-4H-1,2,4-triazol-3-yl)ethanamine dihydrochloride
CID 44118466
2-(4-(propan-2-yl)-4H-1,2,4-triazol-3-yl)ethan-1-amine dihydrochloride
CID 47000736
2-(4-ethyl-4H-1,2,4-triazol-3-yl)ethan-1-amine dihydrochloride
CID 50988341
(dimethyl-4H-1,2,4-triazol-3-yl)methanamine dihydrochloride
CID 50988361
2-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)ethan-1-amine dihydrochloride
CID 50988419

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride?
The IUPAC name of 2-(4,5-dimethyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride (CID 75493607) is 2-(4,5-dimethyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride.
What is the SMILES notation for 2-(4,5-dimethyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride?
The canonical SMILES for 2-(4,5-dimethyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride is Cc1nnc(CCN)n1C.Cl.Cl.
What is the InChIKey of 2-(4,5-dimethyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride?
The InChIKey is KDRMVPWWBXPEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4.2ClH/c1-5-8-9-6(3-4-7)10(5)2;;/h3-4,7H2,1-2H3;2*1H.
What are the key properties of 2-(4,5-dimethyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride?
2-(4,5-dimethyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride has a molecular weight of 213.11 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride is sourced from PubChem (CID 75493607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).