N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine

C14H15N7O — CID 167886676

IUPACN-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine
SMILESc1cc(-c2nnc(NCc3cn(CC4CC4)nn3)o2)ccn1
InChIInChI=1S/C14H15N7O/c1-2-10(1)8-21-9-12(17-20-21)7-16-14-19-18-13(22-14)11-3-5-15-6-4-11/h3-6,9-10H,1-2,7-8H2,(H,16,19)
InChIKeyDRSNWYGIEUIMTN-UHFFFAOYSA-N
MW297.32 g/mol
LogP1.75
Rot. Bonds6

About N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine

N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine (PubChem CID 167886676) has the molecular formula C14H15N7O and a molecular weight of 297.32 g/mol. Its IUPAC name is N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine
PubChem CID167886676
Molecular FormulaC14H15N7O
Molecular Weight297.32 g/mol
Exact Mass297.13
IUPAC NameN-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine
SMILESc1cc(-c2nnc(NCc3cn(CC4CC4)nn3)o2)ccn1
InChIInChI=1S/C14H15N7O/c1-2-10(1)8-21-9-12(17-20-21)7-16-14-19-18-13(22-14)11-3-5-15-6-4-11/h3-6,9-10H,1-2,7-8H2,(H,16,19)
InChIKeyDRSNWYGIEUIMTN-UHFFFAOYSA-N
XLogP1.75
TPSA94.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine (CID 167886676) is N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine is c1cc(-c2nnc(NCc3cn(CC4CC4)nn3)o2)ccn1.
What is the InChIKey of N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine?
The InChIKey is DRSNWYGIEUIMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7O/c1-2-10(1)8-21-9-12(17-20-21)7-16-14-19-18-13(22-14)11-3-5-15-6-4-11/h3-6,9-10H,1-2,7-8H2,(H,16,19).
What are the key properties of N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine?
N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine has a molecular weight of 297.32 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 167886676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).