2,5-dichloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine

C8H8Cl2N6 — CID 106195152

IUPAC2,5-dichloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine
SMILESClc1ncc(Cl)c(NCCc2ncn[nH]2)n1
InChIInChI=1S/C8H8Cl2N6/c9-5-3-12-8(10)15-7(5)11-2-1-6-13-4-14-16-6/h3-4H,1-2H2,(H,11,12,15)(H,13,14,16)
InChIKeyQMMXCVHXXRQIJR-UHFFFAOYSA-N
MW259.10 g/mol
LogP1.56
Rot. Bonds4

About 2,5-dichloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine

2,5-dichloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine (PubChem CID 106195152) has the molecular formula C8H8Cl2N6 and a molecular weight of 259.10 g/mol. Its IUPAC name is 2,5-dichloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2,5-dichloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine
PubChem CID106195152
Molecular FormulaC8H8Cl2N6
Molecular Weight259.10 g/mol
Exact Mass258.02
IUPAC Name2,5-dichloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine
SMILESClc1ncc(Cl)c(NCCc2ncn[nH]2)n1
InChIInChI=1S/C8H8Cl2N6/c9-5-3-12-8(10)15-7(5)11-2-1-6-13-4-14-16-6/h3-4H,1-2H2,(H,11,12,15)(H,13,14,16)
InChIKeyQMMXCVHXXRQIJR-UHFFFAOYSA-N
XLogP1.56
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,5,6-trichloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine
CID 106195168
6-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 114156733
3-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrazin-2-amine
CID 106195203
2-chloro-5-fluoro-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine
CID 106193136
2-chloro-6-methyl-5-nitro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine
CID 106195182
6-chloro-2-ethyl-5-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine
CID 103820075
2,5-dichloro-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
CID 79632100
6-chloro-3-nitro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine
CID 106195183
6-chloro-2-N,2-N-dimethyl-4-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 114156731
2,5-dichloro-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 79632889
2,5-dichloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
CID 79632210
6-chloro-2-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2,4-diamine
CID 104924795

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 2,5-dichloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine (CID 106195152) is 2,5-dichloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 2,5-dichloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 2,5-dichloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine is Clc1ncc(Cl)c(NCCc2ncn[nH]2)n1.
What is the InChIKey of 2,5-dichloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine?
The InChIKey is QMMXCVHXXRQIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2N6/c9-5-3-12-8(10)15-7(5)11-2-1-6-13-4-14-16-6/h3-4H,1-2H2,(H,11,12,15)(H,13,14,16).
What are the key properties of 2,5-dichloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine?
2,5-dichloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine has a molecular weight of 259.10 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 106195152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).