2-[(1-cyclohexyltetrazol-5-yl)-pyridin-2-ylmethyl]-3,4-dihydro-1H-isoquinoline

C22H26N6 — CID 652210

IUPAC2-[(1-cyclohexyltetrazol-5-yl)-pyridin-2-ylmethyl]-3,4-dihydro-1H-isoquinoline
SMILESc1ccc(C(c2nnnn2C2CCCCC2)N2CCc3ccccc3C2)nc1
InChIInChI=1S/C22H26N6/c1-2-10-19(11-3-1)28-22(24-25-26-28)21(20-12-6-7-14-23-20)27-15-13-17-8-4-5-9-18(17)16-27/h4-9,12,14,19,21H,1-3,10-11,13,15-16H2
InChIKeyNAOKADXNRCMONT-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.72
Rot. Bonds4

About 2-[(1-cyclohexyltetrazol-5-yl)-pyridin-2-ylmethyl]-3,4-dihydro-1H-isoquinoline

2-[(1-cyclohexyltetrazol-5-yl)-pyridin-2-ylmethyl]-3,4-dihydro-1H-isoquinoline (PubChem CID 652210) has the molecular formula C22H26N6 and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-[(1-cyclohexyltetrazol-5-yl)-pyridin-2-ylmethyl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-[(1-cyclohexyltetrazol-5-yl)-pyridin-2-ylmethyl]-3,4-dihydro-1H-isoquinoline
PubChem CID652210
Molecular FormulaC22H26N6
Molecular Weight374.49 g/mol
Exact Mass374.22
IUPAC Name2-[(1-cyclohexyltetrazol-5-yl)-pyridin-2-ylmethyl]-3,4-dihydro-1H-isoquinoline
SMILESc1ccc(C(c2nnnn2C2CCCCC2)N2CCc3ccccc3C2)nc1
InChIInChI=1S/C22H26N6/c1-2-10-19(11-3-1)28-22(24-25-26-28)21(20-12-6-7-14-23-20)27-15-13-17-8-4-5-9-18(17)16-27/h4-9,12,14,19,21H,1-3,10-11,13,15-16H2
InChIKeyNAOKADXNRCMONT-UHFFFAOYSA-N
XLogP3.72
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclohexyltetrazol-5-yl)-pyridin-2-ylmethyl]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-[(1-cyclohexyltetrazol-5-yl)-pyridin-2-ylmethyl]-3,4-dihydro-1H-isoquinoline (CID 652210) is 2-[(1-cyclohexyltetrazol-5-yl)-pyridin-2-ylmethyl]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-[(1-cyclohexyltetrazol-5-yl)-pyridin-2-ylmethyl]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-[(1-cyclohexyltetrazol-5-yl)-pyridin-2-ylmethyl]-3,4-dihydro-1H-isoquinoline is c1ccc(C(c2nnnn2C2CCCCC2)N2CCc3ccccc3C2)nc1.
What is the InChIKey of 2-[(1-cyclohexyltetrazol-5-yl)-pyridin-2-ylmethyl]-3,4-dihydro-1H-isoquinoline?
The InChIKey is NAOKADXNRCMONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6/c1-2-10-19(11-3-1)28-22(24-25-26-28)21(20-12-6-7-14-23-20)27-15-13-17-8-4-5-9-18(17)16-27/h4-9,12,14,19,21H,1-3,10-11,13,15-16H2.
What are the key properties of 2-[(1-cyclohexyltetrazol-5-yl)-pyridin-2-ylmethyl]-3,4-dihydro-1H-isoquinoline?
2-[(1-cyclohexyltetrazol-5-yl)-pyridin-2-ylmethyl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 374.49 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclohexyltetrazol-5-yl)-pyridin-2-ylmethyl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 652210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).