4-bromo-N-methyl-N-[2-(2H-tetrazol-5-yl)propyl]pyridin-2-amine

C10H13BrN6 — CID 146104877

IUPAC4-bromo-N-methyl-N-[2-(2H-tetrazol-5-yl)propyl]pyridin-2-amine
SMILESCC(CN(C)c1cc(Br)ccn1)c1nn[nH]n1
InChIInChI=1S/C10H13BrN6/c1-7(10-13-15-16-14-10)6-17(2)9-5-8(11)3-4-12-9/h3-5,7H,6H2,1-2H3,(H,13,14,15,16)
InChIKeyRLMOHMTYZGEYPN-UHFFFAOYSA-N
MW297.16 g/mol
LogP1.60
Rot. Bonds4

About 4-bromo-N-methyl-N-[2-(2H-tetrazol-5-yl)propyl]pyridin-2-amine

4-bromo-N-methyl-N-[2-(2H-tetrazol-5-yl)propyl]pyridin-2-amine (PubChem CID 146104877) has the molecular formula C10H13BrN6 and a molecular weight of 297.16 g/mol. Its IUPAC name is 4-bromo-N-methyl-N-[2-(2H-tetrazol-5-yl)propyl]pyridin-2-amine.

Molecular Properties

Compound Name4-bromo-N-methyl-N-[2-(2H-tetrazol-5-yl)propyl]pyridin-2-amine
PubChem CID146104877
Molecular FormulaC10H13BrN6
Molecular Weight297.16 g/mol
Exact Mass296.04
IUPAC Name4-bromo-N-methyl-N-[2-(2H-tetrazol-5-yl)propyl]pyridin-2-amine
SMILESCC(CN(C)c1cc(Br)ccn1)c1nn[nH]n1
InChIInChI=1S/C10H13BrN6/c1-7(10-13-15-16-14-10)6-17(2)9-5-8(11)3-4-12-9/h3-5,7H,6H2,1-2H3,(H,13,14,15,16)
InChIKeyRLMOHMTYZGEYPN-UHFFFAOYSA-N
XLogP1.60
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.16
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-methyl-N-[2-(2H-tetrazol-5-yl)propyl]pyridin-2-amine?
The IUPAC name of 4-bromo-N-methyl-N-[2-(2H-tetrazol-5-yl)propyl]pyridin-2-amine (CID 146104877) is 4-bromo-N-methyl-N-[2-(2H-tetrazol-5-yl)propyl]pyridin-2-amine.
What is the SMILES notation for 4-bromo-N-methyl-N-[2-(2H-tetrazol-5-yl)propyl]pyridin-2-amine?
The canonical SMILES for 4-bromo-N-methyl-N-[2-(2H-tetrazol-5-yl)propyl]pyridin-2-amine is CC(CN(C)c1cc(Br)ccn1)c1nn[nH]n1.
What is the InChIKey of 4-bromo-N-methyl-N-[2-(2H-tetrazol-5-yl)propyl]pyridin-2-amine?
The InChIKey is RLMOHMTYZGEYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN6/c1-7(10-13-15-16-14-10)6-17(2)9-5-8(11)3-4-12-9/h3-5,7H,6H2,1-2H3,(H,13,14,15,16).
What are the key properties of 4-bromo-N-methyl-N-[2-(2H-tetrazol-5-yl)propyl]pyridin-2-amine?
4-bromo-N-methyl-N-[2-(2H-tetrazol-5-yl)propyl]pyridin-2-amine has a molecular weight of 297.16 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-methyl-N-[2-(2H-tetrazol-5-yl)propyl]pyridin-2-amine is sourced from PubChem (CID 146104877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).