6-chloro-N-(1H-pyrazol-4-ylmethyl)pyrazin-2-amine

C8H8ClN5 — CID 106193467

IUPAC6-chloro-N-(1H-pyrazol-4-ylmethyl)pyrazin-2-amine
SMILESClc1cncc(NCc2cn[nH]c2)n1
InChIInChI=1S/C8H8ClN5/c9-7-4-10-5-8(14-7)11-1-6-2-12-13-3-6/h2-5H,1H2,(H,11,14)(H,12,13)
InChIKeyDEUPAMHPRSQTEF-UHFFFAOYSA-N
MW209.64 g/mol
LogP1.47
Rot. Bonds3

About 6-chloro-N-(1H-pyrazol-4-ylmethyl)pyrazin-2-amine

6-chloro-N-(1H-pyrazol-4-ylmethyl)pyrazin-2-amine (PubChem CID 106193467) has the molecular formula C8H8ClN5 and a molecular weight of 209.64 g/mol. Its IUPAC name is 6-chloro-N-(1H-pyrazol-4-ylmethyl)pyrazin-2-amine.

Molecular Properties

Compound Name6-chloro-N-(1H-pyrazol-4-ylmethyl)pyrazin-2-amine
PubChem CID106193467
Molecular FormulaC8H8ClN5
Molecular Weight209.64 g/mol
Exact Mass209.05
IUPAC Name6-chloro-N-(1H-pyrazol-4-ylmethyl)pyrazin-2-amine
SMILESClc1cncc(NCc2cn[nH]c2)n1
InChIInChI=1S/C8H8ClN5/c9-7-4-10-5-8(14-7)11-1-6-2-12-13-3-6/h2-5H,1H2,(H,11,14)(H,12,13)
InChIKeyDEUPAMHPRSQTEF-UHFFFAOYSA-N
XLogP1.47
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.64
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-[(3-ethyl-5-methoxyphenyl)methyl]pyrazin-2-amine
CID 89324365
6-chloro-2-ethyl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-4-amine
CID 106193475
3-chloro-N-(1H-pyrazol-4-ylmethyl)pyrazin-2-amine
CID 106193468
5-methoxy-N-(1H-pyrazol-4-ylmethyl)pyridin-2-amine
CID 103802199
2-chloro-6-(ethylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide
CID 55046147
2-methyl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-4-amine
CID 62784731
5-bromo-4-N-(1H-pyrazol-4-ylmethyl)pyridine-3,4-diamine
CID 103517902
6-chloro-N-propylpyrazin-2-amine
CID 26370207
N-(1H-pyrazol-4-ylmethyl)pyrimidin-2-amine
CID 61000619
6-chloro-N-[(2,4-difluorophenyl)methyl]pyrazin-2-amine
CID 62047650
6-chloro-N-[(3-nitrophenyl)methyl]pyrazin-2-amine
CID 47453552
6-chloro-N-prop-2-ynylpyrazin-2-amine
CID 107268148

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1H-pyrazol-4-ylmethyl)pyrazin-2-amine?
The IUPAC name of 6-chloro-N-(1H-pyrazol-4-ylmethyl)pyrazin-2-amine (CID 106193467) is 6-chloro-N-(1H-pyrazol-4-ylmethyl)pyrazin-2-amine.
What is the SMILES notation for 6-chloro-N-(1H-pyrazol-4-ylmethyl)pyrazin-2-amine?
The canonical SMILES for 6-chloro-N-(1H-pyrazol-4-ylmethyl)pyrazin-2-amine is Clc1cncc(NCc2cn[nH]c2)n1.
What is the InChIKey of 6-chloro-N-(1H-pyrazol-4-ylmethyl)pyrazin-2-amine?
The InChIKey is DEUPAMHPRSQTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN5/c9-7-4-10-5-8(14-7)11-1-6-2-12-13-3-6/h2-5H,1H2,(H,11,14)(H,12,13).
What are the key properties of 6-chloro-N-(1H-pyrazol-4-ylmethyl)pyrazin-2-amine?
6-chloro-N-(1H-pyrazol-4-ylmethyl)pyrazin-2-amine has a molecular weight of 209.64 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1H-pyrazol-4-ylmethyl)pyrazin-2-amine is sourced from PubChem (CID 106193467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).