(1S)-2-methyl-1-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)propan-1-amine

C10H14N6 — CID 97288488

IUPAC(1S)-2-methyl-1-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)propan-1-amine
SMILESCC(C)[C@H](N)c1nc(-c2cnccn2)n[nH]1
InChIInChI=1S/C10H14N6/c1-6(2)8(11)10-14-9(15-16-10)7-5-12-3-4-13-7/h3-6,8H,11H2,1-2H3,(H,14,15,16)/t8-/m0/s1
InChIKeyUZPNCLWBCANIFG-QMMMGPOBSA-N
MW218.26 g/mol
LogP0.92
Rot. Bonds3

About (1S)-2-methyl-1-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)propan-1-amine

(1S)-2-methyl-1-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)propan-1-amine (PubChem CID 97288488) has the molecular formula C10H14N6 and a molecular weight of 218.26 g/mol. Its IUPAC name is (1S)-2-methyl-1-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name(1S)-2-methyl-1-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)propan-1-amine
PubChem CID97288488
Molecular FormulaC10H14N6
Molecular Weight218.26 g/mol
Exact Mass218.13
IUPAC Name(1S)-2-methyl-1-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)propan-1-amine
SMILESCC(C)[C@H](N)c1nc(-c2cnccn2)n[nH]1
InChIInChI=1S/C10H14N6/c1-6(2)8(11)10-14-9(15-16-10)7-5-12-3-4-13-7/h3-6,8H,11H2,1-2H3,(H,14,15,16)/t8-/m0/s1
InChIKeyUZPNCLWBCANIFG-QMMMGPOBSA-N
XLogP0.92
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-methyl-1-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)propan-1-amine?
The IUPAC name of (1S)-2-methyl-1-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)propan-1-amine (CID 97288488) is (1S)-2-methyl-1-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)propan-1-amine.
What is the SMILES notation for (1S)-2-methyl-1-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)propan-1-amine?
The canonical SMILES for (1S)-2-methyl-1-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)propan-1-amine is CC(C)[C@H](N)c1nc(-c2cnccn2)n[nH]1.
What is the InChIKey of (1S)-2-methyl-1-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)propan-1-amine?
The InChIKey is UZPNCLWBCANIFG-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14N6/c1-6(2)8(11)10-14-9(15-16-10)7-5-12-3-4-13-7/h3-6,8H,11H2,1-2H3,(H,14,15,16)/t8-/m0/s1.
What are the key properties of (1S)-2-methyl-1-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)propan-1-amine?
(1S)-2-methyl-1-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)propan-1-amine has a molecular weight of 218.26 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-methyl-1-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)propan-1-amine is sourced from PubChem (CID 97288488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).