(1R)-1-[5-(1H-1,2,4-triazol-5-ylsulfanyl)-2-pyridinyl]propan-1-amine

C10H13N5S — CID 103938082

IUPAC(1R)-1-[5-(1H-1,2,4-triazol-5-ylsulfanyl)-2-pyridinyl]propan-1-amine
SMILESCC[C@@H](N)c1ccc(Sc2ncn[nH]2)cn1
InChIInChI=1S/C10H13N5S/c1-2-8(11)9-4-3-7(5-12-9)16-10-13-6-14-15-10/h3-6,8H,2,11H2,1H3,(H,13,14,15)/t8-/m1/s1
InChIKeyQALBBTVACBGCKV-MRVPVSSYSA-N
MW235.32 g/mol
LogP1.76
Rot. Bonds4

About (1R)-1-[5-(1H-1,2,4-triazol-5-ylsulfanyl)-2-pyridinyl]propan-1-amine

(1R)-1-[5-(1H-1,2,4-triazol-5-ylsulfanyl)-2-pyridinyl]propan-1-amine (PubChem CID 103938082) has the molecular formula C10H13N5S and a molecular weight of 235.32 g/mol. Its IUPAC name is (1R)-1-[5-(1H-1,2,4-triazol-5-ylsulfanyl)-2-pyridinyl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-[5-(1H-1,2,4-triazol-5-ylsulfanyl)-2-pyridinyl]propan-1-amine
PubChem CID103938082
Molecular FormulaC10H13N5S
Molecular Weight235.32 g/mol
Exact Mass235.09
IUPAC Name(1R)-1-[5-(1H-1,2,4-triazol-5-ylsulfanyl)-2-pyridinyl]propan-1-amine
SMILESCC[C@@H](N)c1ccc(Sc2ncn[nH]2)cn1
InChIInChI=1S/C10H13N5S/c1-2-8(11)9-4-3-7(5-12-9)16-10-13-6-14-15-10/h3-6,8H,2,11H2,1H3,(H,13,14,15)/t8-/m1/s1
InChIKeyQALBBTVACBGCKV-MRVPVSSYSA-N
XLogP1.76
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1-[5-(4-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-amine
CID 113355221
2-[[6-[(1R)-1-aminopropyl]-3-pyridinyl]sulfanyl]-1H-pyrimidin-6-one
CID 113355228
(1R)-1-(5-pyrimidin-2-ylsulfanyl-2-pyridinyl)propan-1-amine
CID 113355226
(1S)-1-(5-pyrimidin-2-ylsulfanyl-2-pyridinyl)propan-1-amine
CID 103938124
(1R)-1-[5-(1H-benzimidazol-2-ylsulfanyl)-2-pyridinyl]propan-1-amine
CID 103938096
1-[5-(1H-1,2,4-triazol-5-ylsulfanyl)-2-pyridinyl]propan-1-one
CID 112583937
(1S)-1-[5-(3-methylphenyl)sulfanyl-2-pyridinyl]propan-1-amine
CID 113355234
(1R)-1-[5-(4-methoxyphenyl)sulfanyl-2-pyridinyl]propan-1-amine
CID 103938100
(1S)-1-(5-propan-2-ylsulfanyl-2-pyridinyl)propan-1-amine
CID 103938158
1-[5-(2-chlorophenyl)sulfanyl-2-pyridinyl]propan-1-amine
CID 112585012
(1S)-1-[5-(7H-purin-6-ylsulfanyl)-2-pyridinyl]propan-1-amine
CID 103938174
(1S)-1-[5-(4-methylsulfonylphenyl)sulfanyl-2-pyridinyl]propan-1-amine
CID 103938208

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-(1H-1,2,4-triazol-5-ylsulfanyl)-2-pyridinyl]propan-1-amine?
The IUPAC name of (1R)-1-[5-(1H-1,2,4-triazol-5-ylsulfanyl)-2-pyridinyl]propan-1-amine (CID 103938082) is (1R)-1-[5-(1H-1,2,4-triazol-5-ylsulfanyl)-2-pyridinyl]propan-1-amine.
What is the SMILES notation for (1R)-1-[5-(1H-1,2,4-triazol-5-ylsulfanyl)-2-pyridinyl]propan-1-amine?
The canonical SMILES for (1R)-1-[5-(1H-1,2,4-triazol-5-ylsulfanyl)-2-pyridinyl]propan-1-amine is CC[C@@H](N)c1ccc(Sc2ncn[nH]2)cn1.
What is the InChIKey of (1R)-1-[5-(1H-1,2,4-triazol-5-ylsulfanyl)-2-pyridinyl]propan-1-amine?
The InChIKey is QALBBTVACBGCKV-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H13N5S/c1-2-8(11)9-4-3-7(5-12-9)16-10-13-6-14-15-10/h3-6,8H,2,11H2,1H3,(H,13,14,15)/t8-/m1/s1.
What are the key properties of (1R)-1-[5-(1H-1,2,4-triazol-5-ylsulfanyl)-2-pyridinyl]propan-1-amine?
(1R)-1-[5-(1H-1,2,4-triazol-5-ylsulfanyl)-2-pyridinyl]propan-1-amine has a molecular weight of 235.32 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-(1H-1,2,4-triazol-5-ylsulfanyl)-2-pyridinyl]propan-1-amine is sourced from PubChem (CID 103938082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).