[5-(12-methyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-10-yl)-2-pyridinyl]methanol

C15H13N5O — CID 58382059

IUPAC[5-(12-methyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-10-yl)-2-pyridinyl]methanol
SMILESCc1nc(-c2ccc(CO)nc2)c2cnc3[nH]ccc3n12
InChIInChI=1S/C15H13N5O/c1-9-19-14(10-2-3-11(8-21)17-6-10)13-7-18-15-12(20(9)13)4-5-16-15/h2-7,16,21H,8H2,1H3
InChIKeyNFCDVRMIKLLHAN-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.07
Rot. Bonds2

About [5-(12-methyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-10-yl)-2-pyridinyl]methanol

[5-(12-methyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-10-yl)-2-pyridinyl]methanol (PubChem CID 58382059) has the molecular formula C15H13N5O and a molecular weight of 279.30 g/mol. Its IUPAC name is [5-(12-methyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-10-yl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[5-(12-methyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-10-yl)-2-pyridinyl]methanol
PubChem CID58382059
Molecular FormulaC15H13N5O
Molecular Weight279.30 g/mol
Exact Mass279.11
IUPAC Name[5-(12-methyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-10-yl)-2-pyridinyl]methanol
SMILESCc1nc(-c2ccc(CO)nc2)c2cnc3[nH]ccc3n12
InChIInChI=1S/C15H13N5O/c1-9-19-14(10-2-3-11(8-21)17-6-10)13-7-18-15-12(20(9)13)4-5-16-15/h2-7,16,21H,8H2,1H3
InChIKeyNFCDVRMIKLLHAN-UHFFFAOYSA-N
XLogP2.07
TPSA79.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [5-(12-methyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-10-yl)-2-pyridinyl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [5-(12-methyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-10-yl)-2-pyridinyl]methanol?
The IUPAC name of [5-(12-methyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-10-yl)-2-pyridinyl]methanol (CID 58382059) is [5-(12-methyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-10-yl)-2-pyridinyl]methanol.
What is the SMILES notation for [5-(12-methyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-10-yl)-2-pyridinyl]methanol?
The canonical SMILES for [5-(12-methyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-10-yl)-2-pyridinyl]methanol is Cc1nc(-c2ccc(CO)nc2)c2cnc3[nH]ccc3n12.
What is the InChIKey of [5-(12-methyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-10-yl)-2-pyridinyl]methanol?
The InChIKey is NFCDVRMIKLLHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O/c1-9-19-14(10-2-3-11(8-21)17-6-10)13-7-18-15-12(20(9)13)4-5-16-15/h2-7,16,21H,8H2,1H3.
What are the key properties of [5-(12-methyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-10-yl)-2-pyridinyl]methanol?
[5-(12-methyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-10-yl)-2-pyridinyl]methanol has a molecular weight of 279.30 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(12-methyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-10-yl)-2-pyridinyl]methanol is sourced from PubChem (CID 58382059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).