N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-(furan-2-ylmethyl)cyclopropanamine

C13H17N5O — CID 51077081

IUPACN-[(1-cyclopropyltetrazol-5-yl)methyl]-N-(furan-2-ylmethyl)cyclopropanamine
SMILESc1coc(CN(Cc2nnnn2C2CC2)C2CC2)c1
InChIInChI=1S/C13H17N5O/c1-2-12(19-7-1)8-17(10-3-4-10)9-13-14-15-16-18(13)11-5-6-11/h1-2,7,10-11H,3-6,8-9H2
InChIKeyHQDPRJPCGVJCDT-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.77
Rot. Bonds6

About N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-(furan-2-ylmethyl)cyclopropanamine

N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-(furan-2-ylmethyl)cyclopropanamine (PubChem CID 51077081) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-(furan-2-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[(1-cyclopropyltetrazol-5-yl)methyl]-N-(furan-2-ylmethyl)cyclopropanamine
PubChem CID51077081
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC NameN-[(1-cyclopropyltetrazol-5-yl)methyl]-N-(furan-2-ylmethyl)cyclopropanamine
SMILESc1coc(CN(Cc2nnnn2C2CC2)C2CC2)c1
InChIInChI=1S/C13H17N5O/c1-2-12(19-7-1)8-17(10-3-4-10)9-13-14-15-16-18(13)11-5-6-11/h1-2,7,10-11H,3-6,8-9H2
InChIKeyHQDPRJPCGVJCDT-UHFFFAOYSA-N
XLogP1.77
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-(furan-2-ylmethyl)cyclopropanamine?
The IUPAC name of N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-(furan-2-ylmethyl)cyclopropanamine (CID 51077081) is N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-(furan-2-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-(furan-2-ylmethyl)cyclopropanamine?
The canonical SMILES for N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-(furan-2-ylmethyl)cyclopropanamine is c1coc(CN(Cc2nnnn2C2CC2)C2CC2)c1.
What is the InChIKey of N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-(furan-2-ylmethyl)cyclopropanamine?
The InChIKey is HQDPRJPCGVJCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-2-12(19-7-1)8-17(10-3-4-10)9-13-14-15-16-18(13)11-5-6-11/h1-2,7,10-11H,3-6,8-9H2.
What are the key properties of N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-(furan-2-ylmethyl)cyclopropanamine?
N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-(furan-2-ylmethyl)cyclopropanamine has a molecular weight of 259.31 g/mol, XLogP of 1.77, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-(furan-2-ylmethyl)cyclopropanamine is sourced from PubChem (CID 51077081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).