N',N'-dimethyl-N-[4-(1-methyltetrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]ethane-1,2-diamine

C13H18N8 — CID 56887995

IUPACN',N'-dimethyl-N-[4-(1-methyltetrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]ethane-1,2-diamine
SMILESCN(C)CCNc1cc(-c2nnnn2C)c2cc[nH]c2n1
InChIInChI=1S/C13H18N8/c1-20(2)7-6-14-11-8-10(13-17-18-19-21(13)3)9-4-5-15-12(9)16-11/h4-5,8H,6-7H2,1-3H3,(H2,14,15,16)
InChIKeyZOCLSWJAJWAJIB-UHFFFAOYSA-N
MW286.34 g/mol
LogP0.73
Rot. Bonds5

About N',N'-dimethyl-N-[4-(1-methyltetrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]ethane-1,2-diamine

N',N'-dimethyl-N-[4-(1-methyltetrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]ethane-1,2-diamine (PubChem CID 56887995) has the molecular formula C13H18N8 and a molecular weight of 286.34 g/mol. Its IUPAC name is N',N'-dimethyl-N-[4-(1-methyltetrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[4-(1-methyltetrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]ethane-1,2-diamine
PubChem CID56887995
Molecular FormulaC13H18N8
Molecular Weight286.34 g/mol
Exact Mass286.17
IUPAC NameN',N'-dimethyl-N-[4-(1-methyltetrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]ethane-1,2-diamine
SMILESCN(C)CCNc1cc(-c2nnnn2C)c2cc[nH]c2n1
InChIInChI=1S/C13H18N8/c1-20(2)7-6-14-11-8-10(13-17-18-19-21(13)3)9-4-5-15-12(9)16-11/h4-5,8H,6-7H2,1-3H3,(H2,14,15,16)
InChIKeyZOCLSWJAJWAJIB-UHFFFAOYSA-N
XLogP0.73
TPSA87.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[4-(1-methyltetrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-[4-(1-methyltetrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]ethane-1,2-diamine (CID 56887995) is N',N'-dimethyl-N-[4-(1-methyltetrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[4-(1-methyltetrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-[4-(1-methyltetrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]ethane-1,2-diamine is CN(C)CCNc1cc(-c2nnnn2C)c2cc[nH]c2n1.
What is the InChIKey of N',N'-dimethyl-N-[4-(1-methyltetrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]ethane-1,2-diamine?
The InChIKey is ZOCLSWJAJWAJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N8/c1-20(2)7-6-14-11-8-10(13-17-18-19-21(13)3)9-4-5-15-12(9)16-11/h4-5,8H,6-7H2,1-3H3,(H2,14,15,16).
What are the key properties of N',N'-dimethyl-N-[4-(1-methyltetrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]ethane-1,2-diamine?
N',N'-dimethyl-N-[4-(1-methyltetrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]ethane-1,2-diamine has a molecular weight of 286.34 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[4-(1-methyltetrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]ethane-1,2-diamine is sourced from PubChem (CID 56887995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).