N'-(1,7-dimethyltriazolo[4,5-d]pyrimidin-5-yl)-N'-methylethane-1,2-diamine

C9H15N7 — CID 83838341

IUPACN'-(1,7-dimethyltriazolo[4,5-d]pyrimidin-5-yl)-N'-methylethane-1,2-diamine
SMILESCc1nc(N(C)CCN)nc2nnn(C)c12
InChIInChI=1S/C9H15N7/c1-6-7-8(13-14-16(7)3)12-9(11-6)15(2)5-4-10/h4-5,10H2,1-3H3
InChIKeyHTLZEJUYQFGXSL-UHFFFAOYSA-N
MW221.27 g/mol
LogP-0.54
Rot. Bonds3

About N'-(1,7-dimethyltriazolo[4,5-d]pyrimidin-5-yl)-N'-methylethane-1,2-diamine

N'-(1,7-dimethyltriazolo[4,5-d]pyrimidin-5-yl)-N'-methylethane-1,2-diamine (PubChem CID 83838341) has the molecular formula C9H15N7 and a molecular weight of 221.27 g/mol. Its IUPAC name is N'-(1,7-dimethyltriazolo[4,5-d]pyrimidin-5-yl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(1,7-dimethyltriazolo[4,5-d]pyrimidin-5-yl)-N'-methylethane-1,2-diamine
PubChem CID83838341
Molecular FormulaC9H15N7
Molecular Weight221.27 g/mol
Exact Mass221.14
IUPAC NameN'-(1,7-dimethyltriazolo[4,5-d]pyrimidin-5-yl)-N'-methylethane-1,2-diamine
SMILESCc1nc(N(C)CCN)nc2nnn(C)c12
InChIInChI=1S/C9H15N7/c1-6-7-8(13-14-16(7)3)12-9(11-6)15(2)5-4-10/h4-5,10H2,1-3H3
InChIKeyHTLZEJUYQFGXSL-UHFFFAOYSA-N
XLogP-0.54
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N'-(1,7-dimethyltriazolo[4,5-d]pyrimidin-5-yl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-(1,7-dimethyltriazolo[4,5-d]pyrimidin-5-yl)-N'-methylethane-1,2-diamine (CID 83838341) is N'-(1,7-dimethyltriazolo[4,5-d]pyrimidin-5-yl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-(1,7-dimethyltriazolo[4,5-d]pyrimidin-5-yl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-(1,7-dimethyltriazolo[4,5-d]pyrimidin-5-yl)-N'-methylethane-1,2-diamine is Cc1nc(N(C)CCN)nc2nnn(C)c12.
What is the InChIKey of N'-(1,7-dimethyltriazolo[4,5-d]pyrimidin-5-yl)-N'-methylethane-1,2-diamine?
The InChIKey is HTLZEJUYQFGXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N7/c1-6-7-8(13-14-16(7)3)12-9(11-6)15(2)5-4-10/h4-5,10H2,1-3H3.
What are the key properties of N'-(1,7-dimethyltriazolo[4,5-d]pyrimidin-5-yl)-N'-methylethane-1,2-diamine?
N'-(1,7-dimethyltriazolo[4,5-d]pyrimidin-5-yl)-N'-methylethane-1,2-diamine has a molecular weight of 221.27 g/mol, XLogP of -0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,7-dimethyltriazolo[4,5-d]pyrimidin-5-yl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 83838341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).