3-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepine

C14H23N5 — CID 110262964

IUPAC3-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepine
SMILESC1CC(c2nnc3n2CCNCC3)N(CC2CC2)C1
InChIInChI=1S/C14H23N5/c1-2-12(18(8-1)10-11-3-4-11)14-17-16-13-5-6-15-7-9-19(13)14/h11-12,15H,1-10H2
InChIKeyVPBCSAKMNLLYNG-UHFFFAOYSA-N
MW261.37 g/mol
LogP0.97
Rot. Bonds3

About 3-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepine

3-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepine (PubChem CID 110262964) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepine.

Molecular Properties

Compound Name3-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepine
PubChem CID110262964
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name3-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepine
SMILESC1CC(c2nnc3n2CCNCC3)N(CC2CC2)C1
InChIInChI=1S/C14H23N5/c1-2-12(18(8-1)10-11-3-4-11)14-17-16-13-5-6-15-7-9-19(13)14/h11-12,15H,1-10H2
InChIKeyVPBCSAKMNLLYNG-UHFFFAOYSA-N
XLogP0.97
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepine?
The IUPAC name of 3-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepine (CID 110262964) is 3-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepine.
What is the SMILES notation for 3-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepine?
The canonical SMILES for 3-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepine is C1CC(c2nnc3n2CCNCC3)N(CC2CC2)C1.
What is the InChIKey of 3-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepine?
The InChIKey is VPBCSAKMNLLYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-2-12(18(8-1)10-11-3-4-11)14-17-16-13-5-6-15-7-9-19(13)14/h11-12,15H,1-10H2.
What are the key properties of 3-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepine?
3-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepine has a molecular weight of 261.37 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepine is sourced from PubChem (CID 110262964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).