N-(1-cyclopropyltetrazol-5-yl)-3,4-dihydro-1H-isochromene-6-carboxamide

C14H15N5O2 — CID 154801074

IUPACN-(1-cyclopropyltetrazol-5-yl)-3,4-dihydro-1H-isochromene-6-carboxamide
SMILESO=C(Nc1nnnn1C1CC1)c1ccc2c(c1)CCOC2
InChIInChI=1S/C14H15N5O2/c20-13(15-14-16-17-18-19(14)12-3-4-12)10-1-2-11-8-21-6-5-9(11)7-10/h1-2,7,12H,3-6,8H2,(H,15,16,18,20)
InChIKeySJSUUBVPBLCYRP-UHFFFAOYSA-N
MW285.31 g/mol
LogP1.33
Rot. Bonds3

About N-(1-cyclopropyltetrazol-5-yl)-3,4-dihydro-1H-isochromene-6-carboxamide

N-(1-cyclopropyltetrazol-5-yl)-3,4-dihydro-1H-isochromene-6-carboxamide (PubChem CID 154801074) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is N-(1-cyclopropyltetrazol-5-yl)-3,4-dihydro-1H-isochromene-6-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropyltetrazol-5-yl)-3,4-dihydro-1H-isochromene-6-carboxamide
PubChem CID154801074
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC NameN-(1-cyclopropyltetrazol-5-yl)-3,4-dihydro-1H-isochromene-6-carboxamide
SMILESO=C(Nc1nnnn1C1CC1)c1ccc2c(c1)CCOC2
InChIInChI=1S/C14H15N5O2/c20-13(15-14-16-17-18-19(14)12-3-4-12)10-1-2-11-8-21-6-5-9(11)7-10/h1-2,7,12H,3-6,8H2,(H,15,16,18,20)
InChIKeySJSUUBVPBLCYRP-UHFFFAOYSA-N
XLogP1.33
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-cyclopropyltetrazol-5-yl)-6,7-dihydro-4H-furo[3,4-c]pyran-1-carboxamide
CID 154788103
2-cyclopropyl-N-(1-cyclopropyltetrazol-5-yl)-3H-benzimidazole-5-carboxamide
CID 166434320
N-(1-cyclopropyltetrazol-5-yl)-5-methyl-1-(4-methylphenyl)pyrazole-3-carboxamide
CID 136570526
4-chloro-N-(1-cyclopropyltetrazol-5-yl)-1-methylpyrazole-3-carboxamide
CID 154786288
2-amino-1-(3,4-dihydro-1H-isochromen-6-yl)propan-1-one
CID 82609750
N-(7-ethoxy-2-ethylimidazo[1,2-a]pyridin-6-yl)-3,4-dihydro-1H-isochromene-6-carboxamide
CID 154655160
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2,3-diethylquinoxaline-6-carboxamide
CID 30765806
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-4-iodobenzamide
CID 46548478
N-(4-methyl-1H-pyrazol-5-yl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 113236962
N-(2-hydroxyethyl)-N-methyl-3,4-dihydro-1H-isochromene-6-carboxamide
CID 67621245
3-[cyclopropyl(3,4-dihydro-1H-isochromene-6-carbonyl)amino]-2-methylpropanoic acid
CID 136552014
3,4-dihydro-1H-isochromen-6-yl-[(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidin-1-yl]methanone
CID 154783959

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropyltetrazol-5-yl)-3,4-dihydro-1H-isochromene-6-carboxamide?
The IUPAC name of N-(1-cyclopropyltetrazol-5-yl)-3,4-dihydro-1H-isochromene-6-carboxamide (CID 154801074) is N-(1-cyclopropyltetrazol-5-yl)-3,4-dihydro-1H-isochromene-6-carboxamide.
What is the SMILES notation for N-(1-cyclopropyltetrazol-5-yl)-3,4-dihydro-1H-isochromene-6-carboxamide?
The canonical SMILES for N-(1-cyclopropyltetrazol-5-yl)-3,4-dihydro-1H-isochromene-6-carboxamide is O=C(Nc1nnnn1C1CC1)c1ccc2c(c1)CCOC2.
What is the InChIKey of N-(1-cyclopropyltetrazol-5-yl)-3,4-dihydro-1H-isochromene-6-carboxamide?
The InChIKey is SJSUUBVPBLCYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c20-13(15-14-16-17-18-19(14)12-3-4-12)10-1-2-11-8-21-6-5-9(11)7-10/h1-2,7,12H,3-6,8H2,(H,15,16,18,20).
What are the key properties of N-(1-cyclopropyltetrazol-5-yl)-3,4-dihydro-1H-isochromene-6-carboxamide?
N-(1-cyclopropyltetrazol-5-yl)-3,4-dihydro-1H-isochromene-6-carboxamide has a molecular weight of 285.31 g/mol, XLogP of 1.33, 3 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)-3,4-dihydro-1H-isochromene-6-carboxamide is sourced from PubChem (CID 154801074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).