1-(3-pyrrolidin-1-ylpropyl)-1,2,4-triazole-3-carbonitrile

C10H15N5 — CID 62950324

IUPAC1-(3-pyrrolidin-1-ylpropyl)-1,2,4-triazole-3-carbonitrile
SMILESN#Cc1ncn(CCCN2CCCC2)n1
InChIInChI=1S/C10H15N5/c11-8-10-12-9-15(13-10)7-3-6-14-4-1-2-5-14/h9H,1-7H2
InChIKeyNAJJJNXBRFZNCJ-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.64
Rot. Bonds4

About 1-(3-pyrrolidin-1-ylpropyl)-1,2,4-triazole-3-carbonitrile

1-(3-pyrrolidin-1-ylpropyl)-1,2,4-triazole-3-carbonitrile (PubChem CID 62950324) has the molecular formula C10H15N5 and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-(3-pyrrolidin-1-ylpropyl)-1,2,4-triazole-3-carbonitrile.

Molecular Properties

Compound Name1-(3-pyrrolidin-1-ylpropyl)-1,2,4-triazole-3-carbonitrile
PubChem CID62950324
Molecular FormulaC10H15N5
Molecular Weight205.26 g/mol
Exact Mass205.13
IUPAC Name1-(3-pyrrolidin-1-ylpropyl)-1,2,4-triazole-3-carbonitrile
SMILESN#Cc1ncn(CCCN2CCCC2)n1
InChIInChI=1S/C10H15N5/c11-8-10-12-9-15(13-10)7-3-6-14-4-1-2-5-14/h9H,1-7H2
InChIKeyNAJJJNXBRFZNCJ-UHFFFAOYSA-N
XLogP0.64
TPSA57.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-pyrrolidin-1-ylpropyl)-1,2,4-triazole-3-carbonitrile?
The IUPAC name of 1-(3-pyrrolidin-1-ylpropyl)-1,2,4-triazole-3-carbonitrile (CID 62950324) is 1-(3-pyrrolidin-1-ylpropyl)-1,2,4-triazole-3-carbonitrile.
What is the SMILES notation for 1-(3-pyrrolidin-1-ylpropyl)-1,2,4-triazole-3-carbonitrile?
The canonical SMILES for 1-(3-pyrrolidin-1-ylpropyl)-1,2,4-triazole-3-carbonitrile is N#Cc1ncn(CCCN2CCCC2)n1.
What is the InChIKey of 1-(3-pyrrolidin-1-ylpropyl)-1,2,4-triazole-3-carbonitrile?
The InChIKey is NAJJJNXBRFZNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5/c11-8-10-12-9-15(13-10)7-3-6-14-4-1-2-5-14/h9H,1-7H2.
What are the key properties of 1-(3-pyrrolidin-1-ylpropyl)-1,2,4-triazole-3-carbonitrile?
1-(3-pyrrolidin-1-ylpropyl)-1,2,4-triazole-3-carbonitrile has a molecular weight of 205.26 g/mol, XLogP of 0.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-pyrrolidin-1-ylpropyl)-1,2,4-triazole-3-carbonitrile is sourced from PubChem (CID 62950324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).