N-(1-cyclopropyltetrazol-5-yl)-3-methoxycyclobutane-1-carboxamide

C10H15N5O2 — CID 138017587

IUPACN-(1-cyclopropyltetrazol-5-yl)-3-methoxycyclobutane-1-carboxamide
SMILESCOC1CC(C(=O)Nc2nnnn2C2CC2)C1
InChIInChI=1S/C10H15N5O2/c1-17-8-4-6(5-8)9(16)11-10-12-13-14-15(10)7-2-3-7/h6-8H,2-5H2,1H3,(H,11,12,14,16)
InChIKeyLAKVVPXYOWNOCZ-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.37
Rot. Bonds4

About N-(1-cyclopropyltetrazol-5-yl)-3-methoxycyclobutane-1-carboxamide

N-(1-cyclopropyltetrazol-5-yl)-3-methoxycyclobutane-1-carboxamide (PubChem CID 138017587) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is N-(1-cyclopropyltetrazol-5-yl)-3-methoxycyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropyltetrazol-5-yl)-3-methoxycyclobutane-1-carboxamide
PubChem CID138017587
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC NameN-(1-cyclopropyltetrazol-5-yl)-3-methoxycyclobutane-1-carboxamide
SMILESCOC1CC(C(=O)Nc2nnnn2C2CC2)C1
InChIInChI=1S/C10H15N5O2/c1-17-8-4-6(5-8)9(16)11-10-12-13-14-15(10)7-2-3-7/h6-8H,2-5H2,1H3,(H,11,12,14,16)
InChIKeyLAKVVPXYOWNOCZ-UHFFFAOYSA-N
XLogP0.37
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropyltetrazol-5-yl)-3-methoxycyclobutane-1-carboxamide?
The IUPAC name of N-(1-cyclopropyltetrazol-5-yl)-3-methoxycyclobutane-1-carboxamide (CID 138017587) is N-(1-cyclopropyltetrazol-5-yl)-3-methoxycyclobutane-1-carboxamide.
What is the SMILES notation for N-(1-cyclopropyltetrazol-5-yl)-3-methoxycyclobutane-1-carboxamide?
The canonical SMILES for N-(1-cyclopropyltetrazol-5-yl)-3-methoxycyclobutane-1-carboxamide is COC1CC(C(=O)Nc2nnnn2C2CC2)C1.
What is the InChIKey of N-(1-cyclopropyltetrazol-5-yl)-3-methoxycyclobutane-1-carboxamide?
The InChIKey is LAKVVPXYOWNOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c1-17-8-4-6(5-8)9(16)11-10-12-13-14-15(10)7-2-3-7/h6-8H,2-5H2,1H3,(H,11,12,14,16).
What are the key properties of N-(1-cyclopropyltetrazol-5-yl)-3-methoxycyclobutane-1-carboxamide?
N-(1-cyclopropyltetrazol-5-yl)-3-methoxycyclobutane-1-carboxamide has a molecular weight of 237.26 g/mol, XLogP of 0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropyltetrazol-5-yl)-3-methoxycyclobutane-1-carboxamide is sourced from PubChem (CID 138017587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).