N-methyl-3-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)propan-1-amine

C9H13N5 — CID 43479039

IUPACN-methyl-3-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)propan-1-amine
SMILESCNCCCc1nnc2cnccn12
InChIInChI=1S/C9H13N5/c1-10-4-2-3-8-12-13-9-7-11-5-6-14(8)9/h5-7,10H,2-4H2,1H3
InChIKeyLVKIWHLOSUKMSK-UHFFFAOYSA-N
MW191.24 g/mol
LogP0.28
Rot. Bonds4

About N-methyl-3-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)propan-1-amine

N-methyl-3-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)propan-1-amine (PubChem CID 43479039) has the molecular formula C9H13N5 and a molecular weight of 191.24 g/mol. Its IUPAC name is N-methyl-3-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)propan-1-amine
PubChem CID43479039
Molecular FormulaC9H13N5
Molecular Weight191.24 g/mol
Exact Mass191.12
IUPAC NameN-methyl-3-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)propan-1-amine
SMILESCNCCCc1nnc2cnccn12
InChIInChI=1S/C9H13N5/c1-10-4-2-3-8-12-13-9-7-11-5-6-14(8)9/h5-7,10H,2-4H2,1H3
InChIKeyLVKIWHLOSUKMSK-UHFFFAOYSA-N
XLogP0.28
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.24
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)propan-1-amine?
The IUPAC name of N-methyl-3-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)propan-1-amine (CID 43479039) is N-methyl-3-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)propan-1-amine.
What is the SMILES notation for N-methyl-3-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)propan-1-amine?
The canonical SMILES for N-methyl-3-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)propan-1-amine is CNCCCc1nnc2cnccn12.
What is the InChIKey of N-methyl-3-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)propan-1-amine?
The InChIKey is LVKIWHLOSUKMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5/c1-10-4-2-3-8-12-13-9-7-11-5-6-14(8)9/h5-7,10H,2-4H2,1H3.
What are the key properties of N-methyl-3-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)propan-1-amine?
N-methyl-3-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)propan-1-amine has a molecular weight of 191.24 g/mol, XLogP of 0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)propan-1-amine is sourced from PubChem (CID 43479039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).