(1S,16R)-13-(cyclopropylmethyl)-1,16-dimethyl-4,5,6,13-tetrazatetracyclo[10.3.1.02,10.03,7]hexadeca-2(10),3,6,8-tetraene

C18H24N4 — CID 44591198

IUPAC(1S,16R)-13-(cyclopropylmethyl)-1,16-dimethyl-4,5,6,13-tetrazatetracyclo[10.3.1.02,10.03,7]hexadeca-2(10),3,6,8-tetraene
SMILESC[C@H]1C2Cc3ccc4n[nH]nc4c3[C@@]1(C)CCN2CC1CC1
InChIInChI=1S/C18H24N4/c1-11-15-9-13-5-6-14-17(20-21-19-14)16(13)18(11,2)7-8-22(15)10-12-3-4-12/h5-6,11-12,15H,3-4,7-10H2,1-2H3,(H,19,20,21)/t11-,15?,18-/m0/s1
InChIKeyCZRWDWGQXCPHDZ-DQMVDXCWSA-N
MW296.42 g/mol
LogP2.89
Rot. Bonds2

About (1S,16R)-13-(cyclopropylmethyl)-1,16-dimethyl-4,5,6,13-tetrazatetracyclo[10.3.1.02,10.03,7]hexadeca-2(10),3,6,8-tetraene

(1S,16R)-13-(cyclopropylmethyl)-1,16-dimethyl-4,5,6,13-tetrazatetracyclo[10.3.1.02,10.03,7]hexadeca-2(10),3,6,8-tetraene (PubChem CID 44591198) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is (1S,16R)-13-(cyclopropylmethyl)-1,16-dimethyl-4,5,6,13-tetrazatetracyclo[10.3.1.02,10.03,7]hexadeca-2(10),3,6,8-tetraene.

Molecular Properties

Compound Name(1S,16R)-13-(cyclopropylmethyl)-1,16-dimethyl-4,5,6,13-tetrazatetracyclo[10.3.1.02,10.03,7]hexadeca-2(10),3,6,8-tetraene
PubChem CID44591198
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC Name(1S,16R)-13-(cyclopropylmethyl)-1,16-dimethyl-4,5,6,13-tetrazatetracyclo[10.3.1.02,10.03,7]hexadeca-2(10),3,6,8-tetraene
SMILESC[C@H]1C2Cc3ccc4n[nH]nc4c3[C@@]1(C)CCN2CC1CC1
InChIInChI=1S/C18H24N4/c1-11-15-9-13-5-6-14-17(20-21-19-14)16(13)18(11,2)7-8-22(15)10-12-3-4-12/h5-6,11-12,15H,3-4,7-10H2,1-2H3,(H,19,20,21)/t11-,15?,18-/m0/s1
InChIKeyCZRWDWGQXCPHDZ-DQMVDXCWSA-N
XLogP2.89
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S,16R)-13-(cyclopropylmethyl)-1,16-dimethyl-4,5,6,13-tetrazatetracyclo[10.3.1.02,10.03,7]hexadeca-2(10),3,6,8-tetraene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,16R)-13-(cyclopropylmethyl)-1,16-dimethyl-4,5,6,13-tetrazatetracyclo[10.3.1.02,10.03,7]hexadeca-2(10),3,6,8-tetraene?
The IUPAC name of (1S,16R)-13-(cyclopropylmethyl)-1,16-dimethyl-4,5,6,13-tetrazatetracyclo[10.3.1.02,10.03,7]hexadeca-2(10),3,6,8-tetraene (CID 44591198) is (1S,16R)-13-(cyclopropylmethyl)-1,16-dimethyl-4,5,6,13-tetrazatetracyclo[10.3.1.02,10.03,7]hexadeca-2(10),3,6,8-tetraene.
What is the SMILES notation for (1S,16R)-13-(cyclopropylmethyl)-1,16-dimethyl-4,5,6,13-tetrazatetracyclo[10.3.1.02,10.03,7]hexadeca-2(10),3,6,8-tetraene?
The canonical SMILES for (1S,16R)-13-(cyclopropylmethyl)-1,16-dimethyl-4,5,6,13-tetrazatetracyclo[10.3.1.02,10.03,7]hexadeca-2(10),3,6,8-tetraene is C[C@H]1C2Cc3ccc4n[nH]nc4c3[C@@]1(C)CCN2CC1CC1.
What is the InChIKey of (1S,16R)-13-(cyclopropylmethyl)-1,16-dimethyl-4,5,6,13-tetrazatetracyclo[10.3.1.02,10.03,7]hexadeca-2(10),3,6,8-tetraene?
The InChIKey is CZRWDWGQXCPHDZ-DQMVDXCWSA-N. The full InChI is InChI=1S/C18H24N4/c1-11-15-9-13-5-6-14-17(20-21-19-14)16(13)18(11,2)7-8-22(15)10-12-3-4-12/h5-6,11-12,15H,3-4,7-10H2,1-2H3,(H,19,20,21)/t11-,15?,18-/m0/s1.
What are the key properties of (1S,16R)-13-(cyclopropylmethyl)-1,16-dimethyl-4,5,6,13-tetrazatetracyclo[10.3.1.02,10.03,7]hexadeca-2(10),3,6,8-tetraene?
(1S,16R)-13-(cyclopropylmethyl)-1,16-dimethyl-4,5,6,13-tetrazatetracyclo[10.3.1.02,10.03,7]hexadeca-2(10),3,6,8-tetraene has a molecular weight of 296.42 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,16R)-13-(cyclopropylmethyl)-1,16-dimethyl-4,5,6,13-tetrazatetracyclo[10.3.1.02,10.03,7]hexadeca-2(10),3,6,8-tetraene is sourced from PubChem (CID 44591198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).